2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide

C23H27N5O4S — CID 15956455

IUPAC2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide
SMILESCC(C)CCn1c(Cn2c(=O)n(CC(=O)NS(C)(=O)=O)c3ccccc32)nc2ccccc21
InChIInChI=1S/C23H27N5O4S/c1-16(2)12-13-26-18-9-5-4-8-17(18)24-21(26)14-27-19-10-6-7-11-20(19)28(23(27)30)15-22(29)25-33(3,31)32/h4-11,16H,12-15H2,1-3H3,(H,25,29)
InChIKeyJEVLACRSBVBHHC-UHFFFAOYSA-N
MW469.57 g/mol
LogP2.32
Rot. Bonds8

About 2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide

2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide (PubChem CID 15956455) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide
PubChem CID15956455
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide
SMILESCC(C)CCn1c(Cn2c(=O)n(CC(=O)NS(C)(=O)=O)c3ccccc32)nc2ccccc21
InChIInChI=1S/C23H27N5O4S/c1-16(2)12-13-26-18-9-5-4-8-17(18)24-21(26)14-27-19-10-6-7-11-20(19)28(23(27)30)15-22(29)25-33(3,31)32/h4-11,16H,12-15H2,1-3H3,(H,25,29)
InChIKeyJEVLACRSBVBHHC-UHFFFAOYSA-N
XLogP2.32
TPSA107.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide?
The IUPAC name of 2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide (CID 15956455) is 2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide is CC(C)CCn1c(Cn2c(=O)n(CC(=O)NS(C)(=O)=O)c3ccccc32)nc2ccccc21.
What is the InChIKey of 2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide?
The InChIKey is JEVLACRSBVBHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-16(2)12-13-26-18-9-5-4-8-17(18)24-21(26)14-27-19-10-6-7-11-20(19)28(23(27)30)15-22(29)25-33(3,31)32/h4-11,16H,12-15H2,1-3H3,(H,25,29).
What are the key properties of 2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide?
2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide has a molecular weight of 469.57 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]-N-methylsulfonylacetamide is sourced from PubChem (CID 15956455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).