4-(2-phenylbenzimidazol-1-yl)butanenitrile

C17H15N3 — CID 82150408

IUPAC4-(2-phenylbenzimidazol-1-yl)butanenitrile
SMILESN#CCCCn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H15N3/c18-12-6-7-13-20-16-11-5-4-10-15(16)19-17(20)14-8-2-1-3-9-14/h1-5,8-11H,6-7,13H2
InChIKeyVFCHOGHKYDWAKJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.01
Rot. Bonds4

About 4-(2-phenylbenzimidazol-1-yl)butanenitrile

4-(2-phenylbenzimidazol-1-yl)butanenitrile (PubChem CID 82150408) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-(2-phenylbenzimidazol-1-yl)butanenitrile.

Molecular Properties

Compound Name4-(2-phenylbenzimidazol-1-yl)butanenitrile
PubChem CID82150408
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name4-(2-phenylbenzimidazol-1-yl)butanenitrile
SMILESN#CCCCn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H15N3/c18-12-6-7-13-20-16-11-5-4-10-15(16)19-17(20)14-8-2-1-3-9-14/h1-5,8-11H,6-7,13H2
InChIKeyVFCHOGHKYDWAKJ-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449
4-[2-(2,6-dimethoxyphenyl)benzimidazol-1-yl]butanenitrile
CID 94757352
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile
CID 82144803
3-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]propanenitrile
CID 94747257
4-[2-(phenoxymethyl)benzimidazol-1-yl]butanenitrile
CID 82150424
4-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]butanenitrile
CID 82150464
4-[6-oxo-3-(2-phenylbenzimidazol-1-yl)pyridazin-1-yl]butanenitrile
CID 139772176
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
3-(5-nitro-2-phenylbenzimidazol-1-yl)propanenitrile;3-(6-nitro-2-phenylbenzimidazol-1-yl)propanenitrile
CID 158928546
2-phenyl-1-(2-pyridin-2-ylethyl)benzimidazole
CID 12758390
ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
CID 155778333

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylbenzimidazol-1-yl)butanenitrile?
The IUPAC name of 4-(2-phenylbenzimidazol-1-yl)butanenitrile (CID 82150408) is 4-(2-phenylbenzimidazol-1-yl)butanenitrile.
What is the SMILES notation for 4-(2-phenylbenzimidazol-1-yl)butanenitrile?
The canonical SMILES for 4-(2-phenylbenzimidazol-1-yl)butanenitrile is N#CCCCn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 4-(2-phenylbenzimidazol-1-yl)butanenitrile?
The InChIKey is VFCHOGHKYDWAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-12-6-7-13-20-16-11-5-4-10-15(16)19-17(20)14-8-2-1-3-9-14/h1-5,8-11H,6-7,13H2.
What are the key properties of 4-(2-phenylbenzimidazol-1-yl)butanenitrile?
4-(2-phenylbenzimidazol-1-yl)butanenitrile has a molecular weight of 261.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylbenzimidazol-1-yl)butanenitrile is sourced from PubChem (CID 82150408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).