N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide

C24H26N4O3S — CID 122623627

IUPACN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)c3nc(C)n(C(C)c4ccccc4)c3c2)cn(C)c1=O
InChIInChI=1S/C24H26N4O3S/c1-15-11-20(14-27(4)24(15)29)19-12-21(26-32(5,30)31)23-22(13-19)28(17(3)25-23)16(2)18-9-7-6-8-10-18/h6-14,16,26H,1-5H3
InChIKeyIPDVTHZWXBGFMH-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.00
Rot. Bonds5

About N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide

N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide (PubChem CID 122623627) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide
PubChem CID122623627
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)c3nc(C)n(C(C)c4ccccc4)c3c2)cn(C)c1=O
InChIInChI=1S/C24H26N4O3S/c1-15-11-20(14-27(4)24(15)29)19-12-21(26-32(5,30)31)23-22(13-19)28(17(3)25-23)16(2)18-9-7-6-8-10-18/h6-14,16,26H,1-5H3
InChIKeyIPDVTHZWXBGFMH-UHFFFAOYSA-N
XLogP4.00
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide?
The IUPAC name of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide (CID 122623627) is N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)c3nc(C)n(C(C)c4ccccc4)c3c2)cn(C)c1=O.
What is the InChIKey of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide?
The InChIKey is IPDVTHZWXBGFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-15-11-20(14-27(4)24(15)29)19-12-21(26-32(5,30)31)23-22(13-19)28(17(3)25-23)16(2)18-9-7-6-8-10-18/h6-14,16,26H,1-5H3.
What are the key properties of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide?
N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfonamide is sourced from PubChem (CID 122623627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).