4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide

C22H22N4O3S — CID 17244510

IUPAC4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CCn2ccccc2=O)n3C)cc1
InChIInChI=1S/C22H22N4O3S/c1-16-6-9-18(10-7-16)30(28,29)24-17-8-11-20-19(15-17)23-21(25(20)2)12-14-26-13-4-3-5-22(26)27/h3-11,13,15,24H,12,14H2,1-2H3
InChIKeyVEQAMGJEVHDLKU-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.09
Rot. Bonds6

About 4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide

4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide (PubChem CID 17244510) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
PubChem CID17244510
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CCn2ccccc2=O)n3C)cc1
InChIInChI=1S/C22H22N4O3S/c1-16-6-9-18(10-7-16)30(28,29)24-17-8-11-20-19(15-17)23-21(25(20)2)12-14-26-13-4-3-5-22(26)27/h3-11,13,15,24H,12,14H2,1-2H3
InChIKeyVEQAMGJEVHDLKU-UHFFFAOYSA-N
XLogP3.09
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide (CID 17244510) is 4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CCn2ccccc2=O)n3C)cc1.
What is the InChIKey of 4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is VEQAMGJEVHDLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-16-6-9-18(10-7-16)30(28,29)24-17-8-11-20-19(15-17)23-21(25(20)2)12-14-26-13-4-3-5-22(26)27/h3-11,13,15,24H,12,14H2,1-2H3.
What are the key properties of 4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 422.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 17244510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).