1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C21H20F3N5O — CID 18334815

IUPAC1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ccccc3n2CCCC(F)(F)F)c2cnccc2n1C1CC1
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)9-3-11-27-16-5-2-1-4-15(16)26-19(27)13-28-18-12-25-10-8-17(18)29(20(28)30)14-6-7-14/h1-2,4-5,8,10,12,14H,3,6-7,9,11,13H2
InChIKeyXBNZNKMROIWTHL-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.27
Rot. Bonds6

About 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 18334815) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID18334815
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ccccc3n2CCCC(F)(F)F)c2cnccc2n1C1CC1
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)9-3-11-27-16-5-2-1-4-15(16)26-19(27)13-28-18-12-25-10-8-17(18)29(20(28)30)14-6-7-14/h1-2,4-5,8,10,12,14H,3,6-7,9,11,13H2
InChIKeyXBNZNKMROIWTHL-UHFFFAOYSA-N
XLogP4.27
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 18334815) is 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc3ccccc3n2CCCC(F)(F)F)c2cnccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is XBNZNKMROIWTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c22-21(23,24)9-3-11-27-16-5-2-1-4-15(16)26-19(27)13-28-18-12-25-10-8-17(18)29(20(28)30)14-6-7-14/h1-2,4-5,8,10,12,14H,3,6-7,9,11,13H2.
What are the key properties of 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 415.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 18334815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).