6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide

C25H27N5O3S — CID 42436617

IUPAC6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2nc(C)n(CC)c12
InChIInChI=1S/C25H27N5O3S/c1-4-29(17-19-11-13-26-14-12-19)25(31)22-15-20(16-23-24(22)30(5-2)18(3)27-23)28-34(32,33)21-9-7-6-8-10-21/h6-16,28H,4-5,17H2,1-3H3
InChIKeyZOPQNSIHXSYGFH-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.22
Rot. Bonds8

About 6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide

6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide (PubChem CID 42436617) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide
PubChem CID42436617
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2nc(C)n(CC)c12
InChIInChI=1S/C25H27N5O3S/c1-4-29(17-19-11-13-26-14-12-19)25(31)22-15-20(16-23-24(22)30(5-2)18(3)27-23)28-34(32,33)21-9-7-6-8-10-21/h6-16,28H,4-5,17H2,1-3H3
InChIKeyZOPQNSIHXSYGFH-UHFFFAOYSA-N
XLogP4.22
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide?
The IUPAC name of 6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide (CID 42436617) is 6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for 6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide?
The canonical SMILES for 6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide is CCN(Cc1ccncc1)C(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2nc(C)n(CC)c12.
What is the InChIKey of 6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide?
The InChIKey is ZOPQNSIHXSYGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-4-29(17-19-11-13-26-14-12-19)25(31)22-15-20(16-23-24(22)30(5-2)18(3)27-23)28-34(32,33)21-9-7-6-8-10-21/h6-16,28H,4-5,17H2,1-3H3.
What are the key properties of 6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide?
6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonamido)-N,3-diethyl-2-methyl-N-(pyridin-4-ylmethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 42436617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).