2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile

C18H17N3 — CID 82333203

IUPAC2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
SMILESCc1ccc(Cn2c(CC#N)nc3cc(C)ccc32)cc1
InChIInChI=1S/C18H17N3/c1-13-3-6-15(7-4-13)12-21-17-8-5-14(2)11-16(17)20-18(21)9-10-19/h3-8,11H,9,12H2,1-2H3
InChIKeySTDZHJPQRGXDCS-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.77
Rot. Bonds3

About 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile

2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile (PubChem CID 82333203) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
PubChem CID82333203
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
SMILESCc1ccc(Cn2c(CC#N)nc3cc(C)ccc32)cc1
InChIInChI=1S/C18H17N3/c1-13-3-6-15(7-4-13)12-21-17-8-5-14(2)11-16(17)20-18(21)9-10-19/h3-8,11H,9,12H2,1-2H3
InChIKeySTDZHJPQRGXDCS-UHFFFAOYSA-N
XLogP3.77
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 82332299
2-(1,5-diethylbenzimidazol-2-yl)acetonitrile
CID 82333726
2-(chloromethyl)-5-iodo-1-[(4-methylphenyl)methyl]benzimidazole
CID 66079632
2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638416
[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332049
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
CID 82332810
2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole
CID 43660329
2-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 139624260
2-[1-[(3-amino-4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 115557365
2-[1-[(3-bromo-4-fluorophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638084
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile (CID 82333203) is 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile is Cc1ccc(Cn2c(CC#N)nc3cc(C)ccc32)cc1.
What is the InChIKey of 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile?
The InChIKey is STDZHJPQRGXDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-13-3-6-15(7-4-13)12-21-17-8-5-14(2)11-16(17)20-18(21)9-10-19/h3-8,11H,9,12H2,1-2H3.
What are the key properties of 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile?
2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile has a molecular weight of 275.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 82333203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).