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

C23H27N5O3S — CID 18334809

IUPAC1-cyclopropyl-3-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCC(C)S(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21
InChIInChI=1S/C23H27N5O3S/c1-16(2)32(30,31)13-5-12-26-19-7-4-3-6-18(19)25-22(26)15-27-21-14-24-11-10-20(21)28(23(27)29)17-8-9-17/h3-4,6-7,10-11,14,16-17H,5,8-9,12-13,15H2,1-2H3
InChIKeyVOOAIBZUULKXNV-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.14
Rot. Bonds8

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

1-cyclopropyl-3-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 18334809) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID18334809
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name1-cyclopropyl-3-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCC(C)S(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21
InChIInChI=1S/C23H27N5O3S/c1-16(2)32(30,31)13-5-12-26-19-7-4-3-6-18(19)25-22(26)15-27-21-14-24-11-10-20(21)28(23(27)29)17-8-9-17/h3-4,6-7,10-11,14,16-17H,5,8-9,12-13,15H2,1-2H3
InChIKeyVOOAIBZUULKXNV-UHFFFAOYSA-N
XLogP3.14
TPSA91.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.14
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-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 18334809) is 1-cyclopropyl-3-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is CC(C)S(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21.
What is the InChIKey of 1-cyclopropyl-3-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is VOOAIBZUULKXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-16(2)32(30,31)13-5-12-26-19-7-4-3-6-18(19)25-22(26)15-27-21-14-24-11-10-20(21)28(23(27)29)17-8-9-17/h3-4,6-7,10-11,14,16-17H,5,8-9,12-13,15H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-(3-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 453.57 g/mol, XLogP of 3.14, 8 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-propan-2-ylsulfonylpropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 18334809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).