(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile

C21H14N4O — CID 129380747

IUPAC(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile
SMILESN#C[C@@H](C(=O)c1cncc(-c2ccccc2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H14N4O/c22-11-17(21-24-18-8-4-5-9-19(18)25-21)20(26)16-10-15(12-23-13-16)14-6-2-1-3-7-14/h1-10,12-13,17H,(H,24,25)/t17-/m0/s1
InChIKeyGBUNPHYTWOELKF-KRWDZBQOSA-N
MW338.37 g/mol
LogP4.11
Rot. Bonds4

About (2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile

(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile (PubChem CID 129380747) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is (2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile
PubChem CID129380747
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile
SMILESN#C[C@@H](C(=O)c1cncc(-c2ccccc2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H14N4O/c22-11-17(21-24-18-8-4-5-9-19(18)25-21)20(26)16-10-15(12-23-13-16)14-6-2-1-3-7-14/h1-10,12-13,17H,(H,24,25)/t17-/m0/s1
InChIKeyGBUNPHYTWOELKF-KRWDZBQOSA-N
XLogP4.11
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile 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-(1H-benzimidazol-2-yl)-3-(3,5-dinitrophenyl)-3-oxopropanenitrile
CID 23963467
(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile
CID 6928339
2-(1H-benzimidazol-2-yl)-3-(2,4-dichlorophenyl)-3-oxopropanenitrile
CID 2729248
2-(1H-benzimidazol-2-yl)-2-cyano-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 71930597
(2R)-2-(1H-benzimidazol-2-yl)-5,5-dimethyl-3-oxohexanenitrile
CID 51574329
2-(1H-benzimidazol-2-yl)-3-oxo-4-phenoxybutanenitrile
CID 4157814
2-(1H-benzimidazol-2-yl)-3-cyclohexyl-3-oxopropanenitrile
CID 2999322
4-[(2R)-2-(1H-benzimidazol-2-yl)-2-cyanoacetyl]-N,N-diethylbenzenesulfonamide
CID 2331571
1-[3-[2-(1H-benzimidazol-2-yl)-2-cyanoacetyl]phenyl]-3-cyclopropylurea
CID 60527648
N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide
CID 86981705
2-(1H-benzimidazol-2-yl)-3-(2-butyl-1,3-dioxoisoindol-5-yl)-3-oxopropanenitrile
CID 4009718
2-(1H-benzimidazol-2-yl)-3-oxooctanenitrile
CID 47108252

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile?
The IUPAC name of (2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile (CID 129380747) is (2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile.
What is the SMILES notation for (2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile?
The canonical SMILES for (2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile is N#C[C@@H](C(=O)c1cncc(-c2ccccc2)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of (2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile?
The InChIKey is GBUNPHYTWOELKF-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H14N4O/c22-11-17(21-24-18-8-4-5-9-19(18)25-21)20(26)16-10-15(12-23-13-16)14-6-2-1-3-7-14/h1-10,12-13,17H,(H,24,25)/t17-/m0/s1.
What are the key properties of (2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile?
(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile has a molecular weight of 338.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(5-phenyl-3-pyridinyl)propanenitrile is sourced from PubChem (CID 129380747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).