2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine

C18H22N4O2S — CID 146040289

IUPAC2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine
SMILESCN(CCn1cnc2ccccc21)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H22N4O2S/c1-20(12-13-22-15-19-17-10-6-7-11-18(17)22)25(23,24)21(2)14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3
InChIKeyIKBHDSTWJXMYPY-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.34
Rot. Bonds7

About 2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine

2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine (PubChem CID 146040289) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine
PubChem CID146040289
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine
SMILESCN(CCn1cnc2ccccc21)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H22N4O2S/c1-20(12-13-22-15-19-17-10-6-7-11-18(17)22)25(23,24)21(2)14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3
InChIKeyIKBHDSTWJXMYPY-UHFFFAOYSA-N
XLogP2.34
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54604941
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2-(benzimidazol-1-yl)-N-benzyl-N-tert-butylacetamide
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N-methyl-N-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]sulfamoyl]-1-phenylmethanamine
CID 131891219
2-(benzimidazol-1-yl)ethanesulfonyl fluoride
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3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 134012463
3-[3-(benzimidazol-1-yl)propyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 51274415
N,N-bis[2-(benzimidazol-1-yl)ethyl]-4-nitrobenzenesulfonamide
CID 102220628
6-(benzimidazol-1-yl)hexane-1-sulfonic acid
CID 18415223
N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide
CID 171418978
N-[2-(benzimidazol-1-yl)ethyl]-1-ethylsulfanyl-N-methylpropan-2-amine
CID 146046144

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine (CID 146040289) is 2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine is CN(CCn1cnc2ccccc21)S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine?
The InChIKey is IKBHDSTWJXMYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-20(12-13-22-15-19-17-10-6-7-11-18(17)22)25(23,24)21(2)14-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine?
2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine has a molecular weight of 358.47 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[benzyl(methyl)sulfamoyl]-N-methylethanamine is sourced from PubChem (CID 146040289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).