N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide

C18H21N3O2S — CID 1479115

IUPACN-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide
SMILESCc1ccccc1Cn1cnc2c(NS(C)(=O)=O)c(C)c(C)cc21
InChIInChI=1S/C18H21N3O2S/c1-12-7-5-6-8-15(12)10-21-11-19-18-16(21)9-13(2)14(3)17(18)20-24(4,22)23/h5-9,11,20H,10H2,1-4H3
InChIKeyLUPCQHWBVTUKBT-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.38
Rot. Bonds4

About N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide

N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide (PubChem CID 1479115) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide
PubChem CID1479115
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide
SMILESCc1ccccc1Cn1cnc2c(NS(C)(=O)=O)c(C)c(C)cc21
InChIInChI=1S/C18H21N3O2S/c1-12-7-5-6-8-15(12)10-21-11-19-18-16(21)9-13(2)14(3)17(18)20-24(4,22)23/h5-9,11,20H,10H2,1-4H3
InChIKeyLUPCQHWBVTUKBT-UHFFFAOYSA-N
XLogP3.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387
Enviradene
CID 6435398
1-(3-Methylphenyl)-1H-benzimidazol-5-amine
CID 1510981
2,4-Diaminopyrimidine-based antagonist, 7
CID 11846463
N-(1-benzyl-1H-benzo[d]imidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 44567335
N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]methanesulfonamide
CID 57441073
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 1482877
1-(2-Methyl-benzyl)-1H-benzoimidazole
CID 571156
1-((4-fluorophenyl)methyl)-5,6-dimethyl-1H-1,3-benzodiazole
CID 962386
N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-benzimidazolamine
CID 3276862
N-(1-benzyl-1H-benzo[d]imidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 44567354
1-(4-Fluorophenyl)sulfonyl-5,6-dimethylbenzimidazole
CID 755179

Frequently Asked Questions

What is the IUPAC name of N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide?
The IUPAC name of N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide (CID 1479115) is N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide is Cc1ccccc1Cn1cnc2c(NS(C)(=O)=O)c(C)c(C)cc21.
What is the InChIKey of N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide?
The InChIKey is LUPCQHWBVTUKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-7-5-6-8-15(12)10-21-11-19-18-16(21)9-13(2)14(3)17(18)20-24(4,22)23/h5-9,11,20H,10H2,1-4H3.
What are the key properties of N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide?
N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dimethyl-1-[(2-methylphenyl)methyl]benzimidazol-4-yl]methanesulfonamide is sourced from PubChem (CID 1479115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).