5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one

C17H14F3N5O — CID 166654645

IUPAC5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one
SMILESO=C1NC2C=CC(n3c(C4CC4)nc4ccc(C(F)(F)F)nc43)=CC2N1
InChIInChI=1S/C17H14F3N5O/c18-17(19,20)13-6-5-11-15(24-13)25(14(21-11)8-1-2-8)9-3-4-10-12(7-9)23-16(26)22-10/h3-8,10,12H,1-2H2,(H2,22,23,26)
InChIKeyJUVOGXJZWZQWEM-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.79
Rot. Bonds2

About 5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one

5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one (PubChem CID 166654645) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is 5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one
PubChem CID166654645
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC Name5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one
SMILESO=C1NC2C=CC(n3c(C4CC4)nc4ccc(C(F)(F)F)nc43)=CC2N1
InChIInChI=1S/C17H14F3N5O/c18-17(19,20)13-6-5-11-15(24-13)25(14(21-11)8-1-2-8)9-3-4-10-12(7-9)23-16(26)22-10/h3-8,10,12H,1-2H2,(H2,22,23,26)
InChIKeyJUVOGXJZWZQWEM-UHFFFAOYSA-N
XLogP2.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one
CID 164607443
5-[2-(oxolan-3-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3-dihydroindol-2-one
CID 122654619
3-(7-chloro-1H-indazol-5-yl)-2-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654684
3-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 153345504
5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 134450051
(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4,4-trifluoro-3-hydroxybutanamide
CID 130361161
2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one
CID 58345646
3-cyclobutyl-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine;2-phenylpentan-3-one
CID 153345635
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 90447971
5-(2-cyclopropyl-5-methylimidazo[4,5-b]pyridin-3-yl)-1,3-dihydroindol-2-one
CID 122654406
N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-4,4-dimethylpentanamide
CID 118692455
N-[3-(cyclobutadienyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 118692554

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one?
The IUPAC name of 5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one (CID 166654645) is 5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one is O=C1NC2C=CC(n3c(C4CC4)nc4ccc(C(F)(F)F)nc43)=CC2N1.
What is the InChIKey of 5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one?
The InChIKey is JUVOGXJZWZQWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c18-17(19,20)13-6-5-11-15(24-13)25(14(21-11)8-1-2-8)9-3-4-10-12(7-9)23-16(26)22-10/h3-8,10,12H,1-2H2,(H2,22,23,26).
What are the key properties of 5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one?
5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one has a molecular weight of 361.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,3,3a,7a-tetrahydrobenzimidazol-2-one is sourced from PubChem (CID 166654645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).