2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile

C17H15N3 — CID 39148173

IUPAC2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile
SMILESN#CCn1c(CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H15N3/c18-12-13-20-16-9-5-4-8-15(16)19-17(20)11-10-14-6-2-1-3-7-14/h1-9H,10-11,13H2
InChIKeySEGJVXKKCDVBTC-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.35
Rot. Bonds4

About 2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile

2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile (PubChem CID 39148173) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile
PubChem CID39148173
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile
SMILESN#CCn1c(CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C17H15N3/c18-12-13-20-16-9-5-4-8-15(16)19-17(20)11-10-14-6-2-1-3-7-14/h1-9H,10-11,13H2
InChIKeySEGJVXKKCDVBTC-UHFFFAOYSA-N
XLogP3.35
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
2-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311144
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetonitrile
CID 82144934
1-benzyl-2-propylbenzimidazole
CID 764560
2-(2-hydrazinylbenzimidazol-1-yl)acetonitrile
CID 83416613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile (CID 39148173) is 2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile is N#CCn1c(CCc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile?
The InChIKey is SEGJVXKKCDVBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-12-13-20-16-9-5-4-8-15(16)19-17(20)11-10-14-6-2-1-3-7-14/h1-9H,10-11,13H2.
What are the key properties of 2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile?
2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile has a molecular weight of 261.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethyl)benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 39148173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).