1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one

C20H13ClF3N3O — CID 134493949

IUPAC1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C20H13ClF3N3O/c21-16-6-1-3-12(7-16)11-27-17-9-14(10-25-18(17)26-19(27)28)13-4-2-5-15(8-13)20(22,23)24/h1-10H,11H2,(H,25,26,28)
InChIKeyVCFCLGGJCVZEMB-UHFFFAOYSA-N
MW403.79 g/mol
LogP5.11
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one

1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493949) has the molecular formula C20H13ClF3N3O and a molecular weight of 403.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493949
Molecular FormulaC20H13ClF3N3O
Molecular Weight403.79 g/mol
Exact Mass403.07
IUPAC Name1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C20H13ClF3N3O/c21-16-6-1-3-12(7-16)11-27-17-9-14(10-25-18(17)26-19(27)28)13-4-2-5-15(8-13)20(22,23)24/h1-10H,11H2,(H,25,26,28)
InChIKeyVCFCLGGJCVZEMB-UHFFFAOYSA-N
XLogP5.11
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.79
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]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

Related Compounds

1-Methyl-6-Phenyl-1,3-Dihydro-2h-Imidazo[4,5-B]pyridin-2-One
CID 4153551
US10617676, Example 419
CID 134490124
US10617676, Example 20
CID 134493705
1-(4-Chlorophenyl)-3-(4-phenyl-2-pyridinyl)urea
CID 155436500
6-chloro-5-phenyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 10569827
6-(2-chlorophenyl)-9-(2,6-difluorophenyl)-7H-purin-8-one
CID 16220897
N-[3-(3-chloro-4-fluorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
CID 49791274
N-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 124186682
US10807988, Example SC_3393
CID 130201444
3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 137796775
1,3-Bisbenzyl-6-chloro-4-imidazolino[4,5-b]pyridin-2-one
CID 661626
3-[(3-Chlorophenyl)methyl]-1-phenyl-3-(pyridin-2-YL)urea
CID 16015744

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 134493949) is 1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is VCFCLGGJCVZEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3O/c21-16-6-1-3-12(7-16)11-27-17-9-14(10-25-18(17)26-19(27)28)13-4-2-5-15(8-13)20(22,23)24/h1-10H,11H2,(H,25,26,28).
What are the key properties of 1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 403.79 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).