6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C12H9ClN4O — CID 57113380

IUPAC6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(Nc3cccc(Cl)c3)cnc2[nH]1
InChIInChI=1S/C12H9ClN4O/c13-7-2-1-3-8(4-7)15-9-5-10-11(14-6-9)17-12(18)16-10/h1-6,15H,(H2,14,16,17,18)
InChIKeyDPXBBPWDFRQCIV-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.65
Rot. Bonds2

About 6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 57113380) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID57113380
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(Nc3cccc(Cl)c3)cnc2[nH]1
InChIInChI=1S/C12H9ClN4O/c13-7-2-1-3-8(4-7)15-9-5-10-11(14-6-9)17-12(18)16-10/h1-6,15H,(H2,14,16,17,18)
InChIKeyDPXBBPWDFRQCIV-UHFFFAOYSA-N
XLogP2.65
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)quinolin-3-amine
CID 24828267
6-(3-chloroanilino)-1H-pyrimidin-2-one
CID 613314
2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one
CID 91621942
ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570397
5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532340
5-(3-chloroanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109244464
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
[5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone
CID 58087344
6-tert-butyl-3-(3-chloroanilino)-4H-1,2,4-triazin-5-one
CID 135468318
5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201238
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
5-(3-chloroanilino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109199236

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 57113380) is 6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cc(Nc3cccc(Cl)c3)cnc2[nH]1.
What is the InChIKey of 6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is DPXBBPWDFRQCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c13-7-2-1-3-8(4-7)15-9-5-10-11(14-6-9)17-12(18)16-10/h1-6,15H,(H2,14,16,17,18).
What are the key properties of 6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 260.68 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 57113380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).