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

C21H22FN5O3S — CID 18334828

IUPAC1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(F)ccc21
InChIInChI=1S/C21H22FN5O3S/c1-31(29,30)10-2-9-25-17-6-3-14(22)11-16(17)24-20(25)13-26-19-12-23-8-7-18(19)27(21(26)28)15-4-5-15/h3,6-8,11-12,15H,2,4-5,9-10,13H2,1H3
InChIKeyLWYMVPBTDQGUKL-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.50
Rot. Bonds7

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

1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 18334828) has the molecular formula C21H22FN5O3S and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID18334828
Molecular FormulaC21H22FN5O3S
Molecular Weight443.50 g/mol
Exact Mass443.14
IUPAC Name1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(F)ccc21
InChIInChI=1S/C21H22FN5O3S/c1-31(29,30)10-2-9-25-17-6-3-14(22)11-16(17)24-20(25)13-26-19-12-23-8-7-18(19)27(21(26)28)15-4-5-15/h3,6-8,11-12,15H,2,4-5,9-10,13H2,1H3
InChIKeyLWYMVPBTDQGUKL-UHFFFAOYSA-N
XLogP2.50
TPSA91.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-Cyclopropyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 6478034
Bms 433771
CID 500516
5-[3-[[1-(3-Methylsulfonylpropyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]pentanenitrile
CID 11476826
4-[2-[(1-Cyclobutyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile
CID 18334710
4-[2-[(1-Cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile
CID 18334715
4-[2-[[1-(Cyclopropylmethyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile
CID 18334725
4-[2-[[2-Oxo-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile
CID 18334729
4-[2-[(1-Tert-butyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile
CID 18334731
4-[2-[[3-[(4-Methylsulfonylphenyl)methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]methyl]benzimidazol-1-yl]butanenitrile
CID 18334732
4-[2-[[1-[(4-Methylsulfonylphenyl)methyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]benzimidazol-1-yl]butanenitrile
CID 18334733
4-[2-[(2-Oxo-1-prop-1-en-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile
CID 18334737
4-[2-[(2-Oxo-1-propan-2-ylimidazo[4,5-c]pyridin-3-yl)methyl]benzimidazol-1-yl]butanenitrile
CID 18334739

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 18334828) is 1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(F)ccc21.
What is the InChIKey of 1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is LWYMVPBTDQGUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3S/c1-31(29,30)10-2-9-25-17-6-3-14(22)11-16(17)24-20(25)13-26-19-12-23-8-7-18(19)27(21(26)28)15-4-5-15/h3,6-8,11-12,15H,2,4-5,9-10,13H2,1H3.
What are the key properties of 1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 443.50 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[5-fluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 18334828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).