N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

C19H22N4O3S — CID 51191763

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)NCc2nc3ccccc3[nH]2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C19H22N4O3S/c1-12-9-14(10-17(13(12)2)27(25,26)23(3)4)19(24)20-11-18-21-15-7-5-6-8-16(15)22-18/h5-10H,11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyNRXHBDHRJKLJSL-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.36
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (PubChem CID 51191763) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
PubChem CID51191763
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)NCc2nc3ccccc3[nH]2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C19H22N4O3S/c1-12-9-14(10-17(13(12)2)27(25,26)23(3)4)19(24)20-11-18-21-15-7-5-6-8-16(15)22-18/h5-10H,11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyNRXHBDHRJKLJSL-UHFFFAOYSA-N
XLogP2.36
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
3-(dimethylsulfamoyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4,5-dimethylbenzamide
CID 56524376
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46455718
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
N-(1H-benzimidazol-2-ylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112791035
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292714
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (CID 51191763) is N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The InChIKey is NRXHBDHRJKLJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12-9-14(10-17(13(12)2)27(25,26)23(3)4)19(24)20-11-18-21-15-7-5-6-8-16(15)22-18/h5-10H,11H2,1-4H3,(H,20,24)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide has a molecular weight of 386.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 51191763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).