2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile

C16H14ClN5 — CID 91456192

IUPAC2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile
SMILESCCn1c(C(C#N)c2nc(Cl)ncc2C)nc2ccccc21
InChIInChI=1S/C16H14ClN5/c1-3-22-13-7-5-4-6-12(13)20-15(22)11(8-18)14-10(2)9-19-16(17)21-14/h4-7,9,11H,3H2,1-2H3
InChIKeyQZDYWGSGSGFECN-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.46
Rot. Bonds3

About 2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile

2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile (PubChem CID 91456192) has the molecular formula C16H14ClN5 and a molecular weight of 311.78 g/mol. Its IUPAC name is 2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile
PubChem CID91456192
Molecular FormulaC16H14ClN5
Molecular Weight311.78 g/mol
Exact Mass311.09
IUPAC Name2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile
SMILESCCn1c(C(C#N)c2nc(Cl)ncc2C)nc2ccccc21
InChIInChI=1S/C16H14ClN5/c1-3-22-13-7-5-4-6-12(13)20-15(22)11(8-18)14-10(2)9-19-16(17)21-14/h4-7,9,11H,3H2,1-2H3
InChIKeyQZDYWGSGSGFECN-UHFFFAOYSA-N
XLogP3.46
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile 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-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
CID 11372893
4-amino-N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]butanamide
CID 91553873
N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide
CID 91421437
2-(1-ethylbenzimidazol-2-yl)-2-[2-(2-imidazol-1-ylethylamino)-5-methylpyrimidin-4-yl]acetonitrile
CID 91483002
(4R)-N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]-1,3-thiazolidine-4-carboxamide
CID 90892634
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 762121
[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
CID 89375402
2-(2-chloro-5-methylpyrimidin-4-yl)-2-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)acetonitrile
CID 86614766
3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144793
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
1-ethyl-3-methylquinoxaline-2-thione
CID 146015013

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile?
The IUPAC name of 2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile (CID 91456192) is 2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile is CCn1c(C(C#N)c2nc(Cl)ncc2C)nc2ccccc21.
What is the InChIKey of 2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile?
The InChIKey is QZDYWGSGSGFECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5/c1-3-22-13-7-5-4-6-12(13)20-15(22)11(8-18)14-10(2)9-19-16(17)21-14/h4-7,9,11H,3H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile?
2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile has a molecular weight of 311.78 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile is sourced from PubChem (CID 91456192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).