6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one

C17H12F3N5O — CID 164607443

IUPAC6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(n3c(C4CC4)nc4ccc(C(F)(F)F)nc43)C=C2N1
InChIInChI=1S/C17H12F3N5O/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/h3-9H,1-2H2,(H,23,26)
InChIKeyVBJKLPXORBYJTB-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.49
Rot. Bonds2

About 6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one

6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one (PubChem CID 164607443) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one
PubChem CID164607443
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC(n3c(C4CC4)nc4ccc(C(F)(F)F)nc43)C=C2N1
InChIInChI=1S/C17H12F3N5O/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/h3-9H,1-2H2,(H,23,26)
InChIKeyVBJKLPXORBYJTB-UHFFFAOYSA-N
XLogP3.49
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-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

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one (CID 164607443) is 6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one is O=C1N=C2C=CC(n3c(C4CC4)nc4ccc(C(F)(F)F)nc43)C=C2N1.
What is the InChIKey of 6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one?
The InChIKey is VBJKLPXORBYJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/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/h3-9H,1-2H2,(H,23,26).
What are the key properties of 6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one?
6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one has a molecular weight of 359.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclopropyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 164607443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).