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

C21H23N5O3S — CID 18334812

IUPAC1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21
InChIInChI=1S/C21H23N5O3S/c1-30(28,29)12-4-11-24-17-6-3-2-5-16(17)23-20(24)14-25-19-13-22-10-9-18(19)26(21(25)27)15-7-8-15/h2-3,5-6,9-10,13,15H,4,7-8,11-12,14H2,1H3
InChIKeyJCKCWXHGOVMLGZ-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.37
Rot. Bonds7

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

1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 18334812) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID18334812
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21
InChIInChI=1S/C21H23N5O3S/c1-30(28,29)12-4-11-24-17-6-3-2-5-16(17)23-20(24)14-25-19-13-22-10-9-18(19)26(21(25)27)15-7-8-15/h2-3,5-6,9-10,13,15H,4,7-8,11-12,14H2,1H3
InChIKeyJCKCWXHGOVMLGZ-UHFFFAOYSA-N
XLogP2.37
TPSA91.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 18334812) is 1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21.
What is the InChIKey of 1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is JCKCWXHGOVMLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-30(28,29)12-4-11-24-17-6-3-2-5-16(17)23-20(24)14-25-19-13-22-10-9-18(19)26(21(25)27)15-7-8-15/h2-3,5-6,9-10,13,15H,4,7-8,11-12,14H2,1H3.
What are the key properties of 1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 425.51 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 18334812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).