3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile

C15H11N3S — CID 102818482

IUPAC3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
SMILESCc1ccc2nc(Sc3cccc(C#N)c3)[nH]c2c1
InChIInChI=1S/C15H11N3S/c1-10-5-6-13-14(7-10)18-15(17-13)19-12-4-2-3-11(8-12)9-16/h2-8H,1H3,(H,17,18)
InChIKeyQYIDKYMZKRZSCB-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.89
Rot. Bonds2

About 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile

3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile (PubChem CID 102818482) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile.

Molecular Properties

Compound Name3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
PubChem CID102818482
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
SMILESCc1ccc2nc(Sc3cccc(C#N)c3)[nH]c2c1
InChIInChI=1S/C15H11N3S/c1-10-5-6-13-14(7-10)18-15(17-13)19-12-4-2-3-11(8-12)9-16/h2-8H,1H3,(H,17,18)
InChIKeyQYIDKYMZKRZSCB-UHFFFAOYSA-N
XLogP3.89
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 107930978
3-(6-methylquinazolin-4-yl)sulfanylbenzonitrile
CID 133430096
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 62873903
(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951491
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzoic acid
CID 62875595
[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 113368309
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
3-fluoro-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874412
4-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-2-methylbenzonitrile
CID 81276009
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892676

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile?
The IUPAC name of 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile (CID 102818482) is 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile.
What is the SMILES notation for 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile?
The canonical SMILES for 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile is Cc1ccc2nc(Sc3cccc(C#N)c3)[nH]c2c1.
What is the InChIKey of 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile?
The InChIKey is QYIDKYMZKRZSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-10-5-6-13-14(7-10)18-15(17-13)19-12-4-2-3-11(8-12)9-16/h2-8H,1H3,(H,17,18).
What are the key properties of 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile?
3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile has a molecular weight of 265.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile is sourced from PubChem (CID 102818482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).