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

C22H25N5O3S — CID 18334786

IUPAC1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CCC3)c3ccncc32)nc2ccccc21
InChIInChI=1S/C22H25N5O3S/c1-31(29,30)13-5-12-25-18-9-3-2-8-17(18)24-21(25)15-26-20-14-23-11-10-19(20)27(22(26)28)16-6-4-7-16/h2-3,8-11,14,16H,4-7,12-13,15H2,1H3
InChIKeyXUEDTVQOUIYROS-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.76
Rot. Bonds7

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

1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 18334786) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID18334786
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CCC3)c3ccncc32)nc2ccccc21
InChIInChI=1S/C22H25N5O3S/c1-31(29,30)13-5-12-25-18-9-3-2-8-17(18)24-21(25)15-26-20-14-23-11-10-19(20)27(22(26)28)16-6-4-7-16/h2-3,8-11,14,16H,4-7,12-13,15H2,1H3
InChIKeyXUEDTVQOUIYROS-UHFFFAOYSA-N
XLogP2.76
TPSA91.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 18334786) is 1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CCC3)c3ccncc32)nc2ccccc21.
What is the InChIKey of 1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is XUEDTVQOUIYROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-31(29,30)13-5-12-25-18-9-3-2-8-17(18)24-21(25)15-26-20-14-23-11-10-19(20)27(22(26)28)16-6-4-7-16/h2-3,8-11,14,16H,4-7,12-13,15H2,1H3.
What are the key properties of 1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 439.54 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 18334786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).