Molecule:100508: Difference between revisions

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molecule
(auto-generated)
Tag: Reverted
(auto-generated)
Tag: Reverted
Line 11: Line 11:
|moleculeKey=VDFIVJSRRJXMAU-UHFFFAOYSA-N
|moleculeKey=VDFIVJSRRJXMAU-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
   -INDIGO-10172211072D
   -INDIGO-08112313242D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 BEGIN CTAB
M  V30 COUNTS 17 19 0 0 0
M  V30 COUNTS 18 20 0 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 C 3.75092 -4.641 0.0 0
M  V30 1 C 5.13485 -5.37507 0.0 0
M  V30 2 C 5.45224 -4.75325 0.0 0
M  V30 2 C 6.86515 -5.37459 0.0 0
M  V30 3 C 4.6497 -4.18789 0.0 0
M  V30 3 C 6.00164 -4.87497 0.0 0
M  V30 4 C 5.39436 -5.63311 0.0 0
M  V30 4 C 6.86515 -6.37553 0.0 0
M  V30 5 C 3.71268 -5.65773 0.0 0
M  V30 5 C 5.13485 -6.38002 0.0 0
M  V30 6 C 4.55439 -6.13515 0.0 0
M  V30 6 C 6.00382 -6.87503 0.0 0
M  V30 7 N 6.4014 -4.4331 0.0 0
M  V30 7 N 7.81713 -5.06522 0.0 0
M  V30 8 C 6.9766 -5.26378 0.0 0
M  V30 8 C 8.40549 -5.87499 0.0 0
M  V30 9 N 6.34211 -6.06332 0.0 0
M  V30 9 N 7.81712 -6.6848 0.0 0
M  V30 10 C 7.97124 -5.25999 0.0 0
M  V30 10 H 9.27151 -5.37499 0.0 0
M  V30 11 C 9.45757 -4.34824 0.0 0
M  V30 11 C 9.27151 -6.37499 0.0 0
M  V30 12 C 8.45113 -4.37582 0.0 0
M  V30 12 C 11.0018 -6.37334 0.0 0
M  V30 13 C 9.9845 -5.20201 0.0 0
M  V30 13 C 10.138 -5.8743 0.0 0
M  V30 14 C 8.50292 -6.12233 0.0 0
M  V30 14 C 11.0025 -7.37429 0.0 0
M  V30 15 C 9.50944 -6.09133 0.0 0
M  V30 15 C 9.27219 -7.37994 0.0 0
M  V30 16 C 6.59268 -6.99879 0.0 0
M  V30 16 C 10.1415 -7.87437 0.0 0
M  V30 17 C 6.75173 -3.46193 0.0 0
M  V30 17 C 8.12611 -4.11415 0.0 0
M  V30 18 C 8.12615 -7.63585 0.0 0
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
M  V30 1 1 3 1
M  V30 1 2 3 1
M  V30 2 1 4 2
M  V30 2 2 4 2
M  V30 3 2 1 5
M  V30 3 1 1 5
M  V30 4 2 2 3
M  V30 4 1 2 3
M  V30 5 1 5 6
M  V30 5 2 5 6
M  V30 6 2 6 4
M  V30 6 1 6 4
M  V30 7 1 2 7
M  V30 7 1 2 7
M  V30 8 1 7 8
M  V30 8 1 7 8
Line 47: Line 48:
M  V30 10 1 9 4
M  V30 10 1 9 4
M  V30 11 1 8 10
M  V30 11 1 8 10
M  V30 12 2 12 10
M  V30 12 1 8 11
M  V30 13 2 13 11
M  V30 13 2 13 11
M  V30 14 1 10 14
M  V30 14 2 14 12
M  V30 15 1 11 12
M  V30 15 1 11 15
M  V30 16 2 14 15
M  V30 16 1 12 13
M  V30 17 1 15 13
M  V30 17 2 15 16
M  V30 18 1 9 16
M  V30 18 1 16 14
M  V30 19 1 7 17
M  V30 19 1 7 17
M  V30 20 1 9 18
M  V30 END BOND
M  V30 END BOND
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=C1=CC=C2N(C)C(C3C=CC=CC=3)N(C)C2=C1
|smiles=C1C=CC2N(C)C(C3C=CC=CC=3)([H])N(C)C=2C=1
|inchi=1S/C15H16N2/c1-16-13-10-6-7-11-14(13)17(2)15(16)12-8-4-3-5-9-12/h3-11,15H,1-2H3
|inchi=1S/C15H16N2/c1-16-13-10-6-7-11-14(13)17(2)15(16)12-8-4-3-5-9-12/h3-11,15H,1-2H3
|inchikey=VDFIVJSRRJXMAU-UHFFFAOYSA-N
|inchikey=VDFIVJSRRJXMAU-UHFFFAOYSA-N

Revision as of 12:25, 11 August 2023

Properties
CID 199049
CAS 3652-92-4
IUPAC-Name 1,3-dimethyl-2-phenyl-2h-benzimidazole
Abbreviation BIH
Trivialname 13-dimethyl-2-phenylbenzimidazoline
Exact mass 224.131348519
Molecular formula C15H16N2
LogP n/a
Has vendors true
Molecular role n/a
Synonyms 13-dimethyl-2-phenylbenzimidazoline,13-dimethyl-2-phenyl-23-dihydro-1h-benzodimidazole,13-dimethyl-2-phenyl-2h-benzimidazole,benzimidazoline 13-dimethyl-2-phenyl-,13-dimethyl-13-dihydro-2-phenyl-2h-benzimidazole,chemdiv3_000319,schembl993337,dtxsid90190025,hms1473o11,zinc225668

BIH


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