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

C12H8ClN3O — CID 163220152

IUPAC6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C12H8ClN3O/c13-11-6-10-9(7-14-11)15-12(17)16(10)8-4-2-1-3-5-8/h1-7H,(H,15,17)
InChIKeyCDXJYHCZZPNTEU-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.37
Rot. Bonds1

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

6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 163220152) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID163220152
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C12H8ClN3O/c13-11-6-10-9(7-14-11)15-12(17)16(10)8-4-2-1-3-5-8/h1-7H,(H,15,17)
InChIKeyCDXJYHCZZPNTEU-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one (CID 163220152) is 6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one is O=c1[nH]c2cnc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is CDXJYHCZZPNTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-11-6-10-9(7-14-11)15-12(17)16(10)8-4-2-1-3-5-8/h1-7H,(H,15,17).
What are the key properties of 6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one?
6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-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 6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 163220152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).