5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one

C6H4ClN3O — CID 71303716

IUPAC5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=C1N=C2C=CC(Cl)N=C2N1
InChIInChI=1S/C6H4ClN3O/c7-4-2-1-3-5(9-4)10-6(11)8-3/h1-2,4H,(H,9,10,11)
InChIKeyKNBANILTCUSJNT-UHFFFAOYSA-N
MW169.57 g/mol
LogP0.68
Rot. Bonds

About 5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one

5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 71303716) has the molecular formula C6H4ClN3O and a molecular weight of 169.57 g/mol. Its IUPAC name is 5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID71303716
Molecular FormulaC6H4ClN3O
Molecular Weight169.57 g/mol
Exact Mass169.00
IUPAC Name5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=C1N=C2C=CC(Cl)N=C2N1
InChIInChI=1S/C6H4ClN3O/c7-4-2-1-3-5(9-4)10-6(11)8-3/h1-2,4H,(H,9,10,11)
InChIKeyKNBANILTCUSJNT-UHFFFAOYSA-N
XLogP0.68
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride
CID 71651743
6-bromo-1,6-dihydrobenzimidazol-2-one
CID 71303656
6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one
CID 74643944
2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 78595955
6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one
CID 155295276
7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one
CID 71304027
6-[(1S,5R)-8-acetyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,6-dihydrobenzimidazol-2-one
CID 169489633
4-chloro-2,4-dihydro-1H-pyridazin-3-one
CID 169223995
6-chloro-2-cyclohexylimino-6H-quinazolin-4-one
CID 136995848
6-chloro-2-(chloromethyl)-6H-quinolin-4-one
CID 73403338
6-chloro-4-oxo-6H-quinoline-2-carboxylic acid
CID 76845603
6-chloro-4-oxo-6H-quinazoline-2-carboxylic acid
CID 74010932

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one (CID 71303716) is 5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one is O=C1N=C2C=CC(Cl)N=C2N1.
What is the InChIKey of 5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is KNBANILTCUSJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O/c7-4-2-1-3-5(9-4)10-6(11)8-3/h1-2,4H,(H,9,10,11).
What are the key properties of 5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one?
5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 169.57 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71303716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).