2-(5-phenyl-1H-imidazol-2-yl)butanenitrile

C13H13N3 — CID 116883109

IUPAC2-(5-phenyl-1H-imidazol-2-yl)butanenitrile
SMILESCCC(C#N)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C13H13N3/c1-2-10(8-14)13-15-9-12(16-13)11-6-4-3-5-7-11/h3-7,9-10H,2H2,1H3,(H,15,16)
InChIKeyKOCFMMKDKVZKSH-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.09
Rot. Bonds3

About 2-(5-phenyl-1H-imidazol-2-yl)butanenitrile

2-(5-phenyl-1H-imidazol-2-yl)butanenitrile (PubChem CID 116883109) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-(5-phenyl-1H-imidazol-2-yl)butanenitrile.

Molecular Properties

Compound Name2-(5-phenyl-1H-imidazol-2-yl)butanenitrile
PubChem CID116883109
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-(5-phenyl-1H-imidazol-2-yl)butanenitrile
SMILESCCC(C#N)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C13H13N3/c1-2-10(8-14)13-15-9-12(16-13)11-6-4-3-5-7-11/h3-7,9-10H,2H2,1H3,(H,15,16)
InChIKeyKOCFMMKDKVZKSH-UHFFFAOYSA-N
XLogP3.09
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-phenyl-1H-imidazol-2-yl)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-naphthalen-1-yl-1H-imidazol-2-yl)butanenitrile
CID 116883197
2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]butanenitrile
CID 116883116
2-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]butanenitrile
CID 116883190
2-(5-phenyl-1H-imidazol-2-yl)butan-1-amine
CID 65233105
2-[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883145
2-[5-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]butanenitrile
CID 116883173
(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
2,5-diphenyl-1H-imidazole;1H-pyrrole
CID 174802105
5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole
CID 174633660
2-[5-(4-methoxy-2,5-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883139
tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid
CID 67214955
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883164

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1H-imidazol-2-yl)butanenitrile?
The IUPAC name of 2-(5-phenyl-1H-imidazol-2-yl)butanenitrile (CID 116883109) is 2-(5-phenyl-1H-imidazol-2-yl)butanenitrile.
What is the SMILES notation for 2-(5-phenyl-1H-imidazol-2-yl)butanenitrile?
The canonical SMILES for 2-(5-phenyl-1H-imidazol-2-yl)butanenitrile is CCC(C#N)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(5-phenyl-1H-imidazol-2-yl)butanenitrile?
The InChIKey is KOCFMMKDKVZKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-10(8-14)13-15-9-12(16-13)11-6-4-3-5-7-11/h3-7,9-10H,2H2,1H3,(H,15,16).
What are the key properties of 2-(5-phenyl-1H-imidazol-2-yl)butanenitrile?
2-(5-phenyl-1H-imidazol-2-yl)butanenitrile has a molecular weight of 211.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1H-imidazol-2-yl)butanenitrile is sourced from PubChem (CID 116883109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).