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

C18H10ClF2N3O — CID 123513217

IUPAC6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(Cl)c(-c3ccc(-c4ccc(F)c(F)c4)cc3)nc2[nH]1
InChIInChI=1S/C18H10ClF2N3O/c19-12-8-15-17(24-18(25)22-15)23-16(12)10-3-1-9(2-4-10)11-5-6-13(20)14(21)7-11/h1-8H,(H2,22,23,24,25)
InChIKeyUTMRUIXAKFPAPD-UHFFFAOYSA-N
MW357.75 g/mol
LogP4.52
Rot. Bonds2

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

6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 123513217) has the molecular formula C18H10ClF2N3O and a molecular weight of 357.75 g/mol. Its IUPAC name is 6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID123513217
Molecular FormulaC18H10ClF2N3O
Molecular Weight357.75 g/mol
Exact Mass357.05
IUPAC Name6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(Cl)c(-c3ccc(-c4ccc(F)c(F)c4)cc3)nc2[nH]1
InChIInChI=1S/C18H10ClF2N3O/c19-12-8-15-17(24-18(25)22-15)23-16(12)10-3-1-9(2-4-10)11-5-6-13(20)14(21)7-11/h1-8H,(H2,22,23,24,25)
InChIKeyUTMRUIXAKFPAPD-UHFFFAOYSA-N
XLogP4.52
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.75
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol
CID 11150373
6-(2-chlorophenyl)-9-(2,6-difluorophenyl)-7H-purin-8-one
CID 16220897
1-(4-Chlorophenyl)-3-(6-phenyl-2-pyridinyl)urea
CID 155436648
6-(2-chlorophenyl)-9-(2,4-difluorophenyl)-7H-purin-8-one
CID 16220966
6-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493808
1-[(3-chlorophenyl)methyl]-6-(3,5-difluorophenyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 134493825
US10617676, Example 21
CID 134493949
5-Phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 14687902
3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 14687907
6-Phenyl-5-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 20060126
6-(3-Chloropyridin-4-yl)-5-(2-fluorophenyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 24998346
6-chloro-7-(4-fluorophenyl)-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one
CID 44182849

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 123513217) is 6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cc(Cl)c(-c3ccc(-c4ccc(F)c(F)c4)cc3)nc2[nH]1.
What is the InChIKey of 6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is UTMRUIXAKFPAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF2N3O/c19-12-8-15-17(24-18(25)22-15)23-16(12)10-3-1-9(2-4-10)11-5-6-13(20)14(21)7-11/h1-8H,(H2,22,23,24,25).
What are the key properties of 6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 357.75 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-(3,4-difluorophenyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 123513217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).