3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one

C18H12F3N3O2 — CID 14687908

IUPAC3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2c(C(F)(F)F)cc(-c3ccccc3)nc2n1Cc1ccco1
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)13-9-14(11-5-2-1-3-6-11)22-16-15(13)23-17(25)24(16)10-12-7-4-8-26-12/h1-9H,10H2,(H,23,25)
InChIKeySERKLTUDRWMFSB-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.05
Rot. Bonds3

About 3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one

3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 14687908) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID14687908
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2c(C(F)(F)F)cc(-c3ccccc3)nc2n1Cc1ccco1
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)13-9-14(11-5-2-1-3-6-11)22-16-15(13)23-17(25)24(16)10-12-7-4-8-26-12/h1-9H,10H2,(H,23,25)
InChIKeySERKLTUDRWMFSB-UHFFFAOYSA-N
XLogP4.05
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AC1903
CID 667146
Purine-2,6(1H,3H)-dione, 1-(2-furfuryl)-3-(2-methylphenyl)-
CID 557426
1H-Purine-2,6-dione, 3,7-dihydro-8-((2-furanylmethyl)amino)-3-methyl-7-(phenylmethyl)-
CID 1084944
1-ethyl-N-(furan-2-ylmethyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 859261
Furan-2-carboxylic acid [5-(2-fluoro-benzoylamino)-pyridin-2-yl]-amide
CID 1452813
Furan-2-carboxylic acid [5-(3-fluoro-benzoylamino)-pyridin-2-yl]-amide
CID 1452814
2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1H-imidazo[4,5-b]quinoxaline
CID 662008
7-(Furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-imine
CID 667118
2-amino-1-(2-fluorophenethyl)-N-(furan-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 2009147
Furan-2-ylmethyl-methyl-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-amine
CID 9905079
5-(furan-2-yl)-1-methyl-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 11952559
1-((furan-2-yl)methyl)-5-(trifluoromethyl)-1H-1,3-benzodiazol-2-amine
CID 16227113

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 14687908) is 3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2c(C(F)(F)F)cc(-c3ccccc3)nc2n1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is SERKLTUDRWMFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-18(20,21)13-9-14(11-5-2-1-3-6-11)22-16-15(13)23-17(25)24(16)10-12-7-4-8-26-12/h1-9H,10H2,(H,23,25).
What are the key properties of 3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 359.31 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 14687908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).