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

C13H10ClN3O — CID 178075733

IUPAC1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnc(Cl)cc2n1Cc1ccccc1
InChIInChI=1S/C13H10ClN3O/c14-12-6-11-10(7-15-12)16-13(18)17(11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,18)
InChIKeyLKVXYSGLOKNZHR-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.43
Rot. Bonds2

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

1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 178075733) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID178075733
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2cnc(Cl)cc2n1Cc1ccccc1
InChIInChI=1S/C13H10ClN3O/c14-12-6-11-10(7-15-12)16-13(18)17(11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,18)
InChIKeyLKVXYSGLOKNZHR-UHFFFAOYSA-N
XLogP2.43
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.43
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 1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one (CID 178075733) is 1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one is O=c1[nH]c2cnc(Cl)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is LKVXYSGLOKNZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-12-6-11-10(7-15-12)16-13(18)17(11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,18).
What are the key properties of 1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one?
1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 259.70 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 178075733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).