5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one

C12H8ClN3O — CID 2815902

IUPAC5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1-c1ccncc1
InChIInChI=1S/C12H8ClN3O/c13-8-1-2-10-11(7-8)16(12(17)15-10)9-3-5-14-6-4-9/h1-7H,(H,15,17)
InChIKeyNYMMMWPZUXAUBM-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.37
Rot. Bonds1

About 5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one

5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one (PubChem CID 2815902) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one
PubChem CID2815902
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2n1-c1ccncc1
InChIInChI=1S/C12H8ClN3O/c13-8-1-2-10-11(7-8)16(12(17)15-10)9-3-5-14-6-4-9/h1-7H,(H,15,17)
InChIKeyNYMMMWPZUXAUBM-UHFFFAOYSA-N
XLogP2.37
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one?
The IUPAC name of 5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one (CID 2815902) is 5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one?
The canonical SMILES for 5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one is O=c1[nH]c2ccc(Cl)cc2n1-c1ccncc1.
What is the InChIKey of 5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one?
The InChIKey is NYMMMWPZUXAUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-8-1-2-10-11(7-8)16(12(17)15-10)9-3-5-14-6-4-9/h1-7H,(H,15,17).
What are the key properties of 5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one?
5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one has a molecular weight of 245.67 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-pyridin-4-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 2815902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).