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

C24H26N4O2S — CID 145172122

IUPACN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfinamide
SMILESCc1cc(-c2cc(NS(C)=O)c3nc(C)n(C(C)c4ccccc4)c3c2)cn(C)c1=O
InChIInChI=1S/C24H26N4O2S/c1-15-11-20(14-27(4)24(15)29)19-12-21(26-31(5)30)23-22(13-19)28(17(3)25-23)16(2)18-9-7-6-8-10-18/h6-14,16,26H,1-5H3
InChIKeyXVYKSWQUOJVRFM-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.33
Rot. Bonds5

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

N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfinamide (PubChem CID 145172122) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfinamide.

Molecular Properties

Compound NameN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfinamide
PubChem CID145172122
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC NameN-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfinamide
SMILESCc1cc(-c2cc(NS(C)=O)c3nc(C)n(C(C)c4ccccc4)c3c2)cn(C)c1=O
InChIInChI=1S/C24H26N4O2S/c1-15-11-20(14-27(4)24(15)29)19-12-21(26-31(5)30)23-22(13-19)28(17(3)25-23)16(2)18-9-7-6-8-10-18/h6-14,16,26H,1-5H3
InChIKeyXVYKSWQUOJVRFM-UHFFFAOYSA-N
XLogP4.33
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]methanesulfinamide?
The IUPAC name of N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfinamide (CID 145172122) is N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfinamide.
What is the SMILES notation for N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfinamide?
The canonical SMILES for N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfinamide is Cc1cc(-c2cc(NS(C)=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]methanesulfinamide?
The InChIKey is XVYKSWQUOJVRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-15-11-20(14-27(4)24(15)29)19-12-21(26-31(5)30)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]methanesulfinamide?
N-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methyl-1-(1-phenylethyl)benzimidazol-4-yl]methanesulfinamide has a molecular weight of 434.57 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]methanesulfinamide is sourced from PubChem (CID 145172122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).