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

C24H20FN5O — CID 18334819

IUPAC1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ccccc3n2Cc2ccc(F)cc2)c2cnccc2n1C1CC1
InChIInChI=1S/C24H20FN5O/c25-17-7-5-16(6-8-17)14-28-20-4-2-1-3-19(20)27-23(28)15-29-22-13-26-12-11-21(22)30(24(29)31)18-9-10-18/h1-8,11-13,18H,9-10,14-15H2
InChIKeyFQTRBNFYIWLZIV-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.12
Rot. Bonds5

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

1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 18334819) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID18334819
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3ccccc3n2Cc2ccc(F)cc2)c2cnccc2n1C1CC1
InChIInChI=1S/C24H20FN5O/c25-17-7-5-16(6-8-17)14-28-20-4-2-1-3-19(20)27-23(28)15-29-22-13-26-12-11-21(22)30(24(29)31)18-9-10-18/h1-8,11-13,18H,9-10,14-15H2
InChIKeyFQTRBNFYIWLZIV-UHFFFAOYSA-N
XLogP4.12
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one with MolForge

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Related Compounds

1-cyclopropyl-3-[[1-(5-hydroxypentyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 18334827
1-[(4-chlorophenyl)methyl]-2-[(3-cyclopropyl-2-oxobenzimidazol-1-yl)methyl]quinazolin-4-one
CID 118058836
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
1-cyclopropyl-3-[[1-(4-fluorobutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 122520262
2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]-1-(6-hydroxyhexyl)benzimidazole-5-carbonitrile
CID 22349293
3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 88544945
1-cyclopropyl-3-[(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazo[4,5-c]pyridin-2-one
CID 67987627
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-2-one
CID 118131016
5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one
CID 118058936
1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
CID 54195084
1-[[3-chloro-1-(4,4,4-trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
CID 122520256
1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-(pyridin-4-ylmethyl)benzimidazol-2-one
CID 15908030

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 18334819) is 1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc3ccccc3n2Cc2ccc(F)cc2)c2cnccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is FQTRBNFYIWLZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c25-17-7-5-16(6-8-17)14-28-20-4-2-1-3-19(20)27-23(28)15-29-22-13-26-12-11-21(22)30(24(29)31)18-9-10-18/h1-8,11-13,18H,9-10,14-15H2.
What are the key properties of 1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 413.46 g/mol, XLogP of 4.12, 5 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-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 18334819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).