4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile

C23H18N4 — CID 118444834

IUPAC4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1N1c2ccccc2N(c2ccc(C#N)cc2)[C@H]1C
InChIInChI=1S/C23H18N4/c1-16-13-19(15-25)9-12-21(16)27-17(2)26(22-5-3-4-6-23(22)27)20-10-7-18(14-24)8-11-20/h3-13,17H,1-2H3/t17-/m1/s1
InChIKeyQFQJVKOHQPDWDK-QGZVFWFLSA-N
MW350.43 g/mol
LogP5.37
Rot. Bonds2

About 4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile

4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile (PubChem CID 118444834) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile
PubChem CID118444834
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC Name4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1N1c2ccccc2N(c2ccc(C#N)cc2)[C@H]1C
InChIInChI=1S/C23H18N4/c1-16-13-19(15-25)9-12-21(16)27-17(2)26(22-5-3-4-6-23(22)27)20-10-7-18(14-24)8-11-20/h3-13,17H,1-2H3/t17-/m1/s1
InChIKeyQFQJVKOHQPDWDK-QGZVFWFLSA-N
XLogP5.37
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.43
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 63511241
(2S)-3-(2,4-dimethylphenyl)-1,2-dimethyl-2H-benzimidazole-5-carbonitrile
CID 122433498
3-[(2R)-3-cyclopentyl-2-methyl-2H-benzimidazol-1-yl]-4-methylbenzonitrile
CID 118441246
3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]benzonitrile
CID 93392703
(2S)-3-(2,6-dimethylphenyl)-1,2-dimethyl-2H-benzimidazole-5-carbonitrile
CID 122433488
2-methyl-1-phenyl-2,3-dihydrobenzimidazole-5-carbonitrile
CID 70987182
4-[3-(4-cyanophenyl)-2-methyl-5,6-diphenyl-2H-imidazo[4,5-b]pyrazin-1-yl]benzonitrile
CID 21454789
4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzonitrile
CID 55040279
4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-3-methylbenzonitrile
CID 122435770
4-[(2R,5R)-4-(4-cyanophenyl)-2,5-dimethyl-3,6-dioxopiperazin-1-yl]benzonitrile
CID 10617408
3-methyl-4-piperidin-1-ylbenzonitrile
CID 60929306
4-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbenzonitrile
CID 162368223

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile?
The IUPAC name of 4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile (CID 118444834) is 4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile?
The canonical SMILES for 4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1N1c2ccccc2N(c2ccc(C#N)cc2)[C@H]1C.
What is the InChIKey of 4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile?
The InChIKey is QFQJVKOHQPDWDK-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H18N4/c1-16-13-19(15-25)9-12-21(16)27-17(2)26(22-5-3-4-6-23(22)27)20-10-7-18(14-24)8-11-20/h3-13,17H,1-2H3/t17-/m1/s1.
What are the key properties of 4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile?
4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile has a molecular weight of 350.43 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-(4-cyanophenyl)-2-methyl-2H-benzimidazol-1-yl]-3-methylbenzonitrile is sourced from PubChem (CID 118444834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).