1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one

C16H14ClN3O — CID 86614470

IUPAC1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2c(Cl)nc(C3CC3)cc2n1Cc1ccccc1
InChIInChI=1S/C16H14ClN3O/c17-15-14-13(8-12(18-15)11-6-7-11)20(16(21)19-14)9-10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,19,21)
InChIKeyBORIUXUHCKQZCN-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.30
Rot. Bonds3

About 1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one

1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 86614470) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID86614470
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2c(Cl)nc(C3CC3)cc2n1Cc1ccccc1
InChIInChI=1S/C16H14ClN3O/c17-15-14-13(8-12(18-15)11-6-7-11)20(16(21)19-14)9-10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,19,21)
InChIKeyBORIUXUHCKQZCN-UHFFFAOYSA-N
XLogP3.30
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-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 1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one (CID 86614470) is 1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one is O=c1[nH]c2c(Cl)nc(C3CC3)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is BORIUXUHCKQZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-15-14-13(8-12(18-15)11-6-7-11)20(16(21)19-14)9-10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,19,21).
What are the key properties of 1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one?
1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 299.76 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-chloro-6-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 86614470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).