4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide

C15H16N4O2S — CID 82562546

IUPAC4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide
SMILESCc1ccc2nc(NCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C15H16N4O2S/c1-10-2-7-13-14(8-10)19-15(18-13)17-9-11-3-5-12(6-4-11)22(16,20)21/h2-8H,9H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyCLQYTIMJTSIYBK-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.13
Rot. Bonds4

About 4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide

4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide (PubChem CID 82562546) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide
PubChem CID82562546
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide
SMILESCc1ccc2nc(NCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C15H16N4O2S/c1-10-2-7-13-14(8-10)19-15(18-13)17-9-11-3-5-12(6-4-11)22(16,20)21/h2-8H,9H2,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyCLQYTIMJTSIYBK-UHFFFAOYSA-N
XLogP2.13
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazol-2-amine
CID 82564341
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
N-[(3,4-difluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 82564325
4-[[(6-amino-1H-benzimidazol-2-yl)amino]methyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 129228404
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533
2-[(2-ethyl-2-methoxybutyl)amino]-3H-benzimidazole-5-sulfonamide
CID 166243563
3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
CID 2053602
3-methyl-5-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide
CID 167881522
4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide
CID 114448052
4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide
CID 60686955
2-ethyl-3H-benzimidazole-5-sulfonamide
CID 60649079

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide (CID 82562546) is 4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide is Cc1ccc2nc(NCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1.
What is the InChIKey of 4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide?
The InChIKey is CLQYTIMJTSIYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10-2-7-13-14(8-10)19-15(18-13)17-9-11-3-5-12(6-4-11)22(16,20)21/h2-8H,9H2,1H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide?
4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-methyl-1H-benzimidazol-2-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 82562546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).