(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile

C24H20N4 — CID 122433291

IUPAC(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile
SMILESCc1ccc(-c2ccccc2)cc1N1c2cc(C#N)cc(C#N)c2N(C)[C@@H]1C
InChIInChI=1S/C24H20N4/c1-16-9-10-20(19-7-5-4-6-8-19)13-22(16)28-17(2)27(3)24-21(15-26)11-18(14-25)12-23(24)28/h4-13,17H,1-3H3/t17-/m0/s1
InChIKeyAPHBIZBEGDAFPQ-KRWDZBQOSA-N
MW364.45 g/mol
LogP5.34
Rot. Bonds2

About (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile

(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile (PubChem CID 122433291) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile
PubChem CID122433291
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile
SMILESCc1ccc(-c2ccccc2)cc1N1c2cc(C#N)cc(C#N)c2N(C)[C@@H]1C
InChIInChI=1S/C24H20N4/c1-16-9-10-20(19-7-5-4-6-8-19)13-22(16)28-17(2)27(3)24-21(15-26)11-18(14-25)12-23(24)28/h4-13,17H,1-3H3/t17-/m0/s1
InChIKeyAPHBIZBEGDAFPQ-KRWDZBQOSA-N
XLogP5.34
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2,3-dimethylphenyl)-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile
CID 122433579
(2S)-5-isocyano-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile
CID 153430545
(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-imidazole-4-carbonitrile
CID 122433594
(2S)-1-dibenzofuran-3-yl-2,3-dimethyl-2H-benzimidazole-4,6-dicarbonitrile
CID 122433252
(2S)-2,3-dimethyl-1-(2-methyldibenzofuran-3-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-4-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4-carbonitrile;(2S)-2,3-dimethyl-1-(2-methyl-6-phenylphenyl)-2H-benzimidazole-4-carbonitrile
CID 160726858
(2S)-1-(2,6-dimethylphenyl)-2,3-dimethyl-2H-benzimidazole-5,6-dicarbonitrile
CID 122433208
(2S)-3-(2,6-dimethylphenyl)-1,2-dimethyl-2H-benzimidazole-5-carbonitrile
CID 122433488
(2S)-1,2-dimethyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazole-4,6-dicarbonitrile
CID 122433363
2-methyl-3-(2-methyl-5-phenylphenyl)-1-phenyl-4,5,6,7-tetrahydro-2H-imidazo[4,5-b]pyrazine
CID 171620853
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole-4,5-dicarbonitrile
CID 122433271
3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile
CID 118441246
2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile
CID 126496826

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile?
The IUPAC name of (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile (CID 122433291) is (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile.
What is the SMILES notation for (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile?
The canonical SMILES for (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile is Cc1ccc(-c2ccccc2)cc1N1c2cc(C#N)cc(C#N)c2N(C)[C@@H]1C.
What is the InChIKey of (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile?
The InChIKey is APHBIZBEGDAFPQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H20N4/c1-16-9-10-20(19-7-5-4-6-8-19)13-22(16)28-17(2)27(3)24-21(15-26)11-18(14-25)12-23(24)28/h4-13,17H,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile?
(2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile has a molecular weight of 364.45 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-1-(2-methyl-5-phenylphenyl)-2H-benzimidazole-4,6-dicarbonitrile is sourced from PubChem (CID 122433291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).