N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide

C17H19N3O2S — CID 110785932

IUPACN-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide
SMILESCC(C)n1cnc2cc(CNS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C17H19N3O2S/c1-13(2)20-12-18-16-10-14(8-9-17(16)20)11-19-23(21,22)15-6-4-3-5-7-15/h3-10,12-13,19H,11H2,1-2H3
InChIKeyHQXAWHCHUPIMHA-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.10
Rot. Bonds5

About N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide

N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110785932) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide
PubChem CID110785932
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide
SMILESCC(C)n1cnc2cc(CNS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C17H19N3O2S/c1-13(2)20-12-18-16-10-14(8-9-17(16)20)11-19-23(21,22)15-6-4-3-5-7-15/h3-10,12-13,19H,11H2,1-2H3
InChIKeyHQXAWHCHUPIMHA-UHFFFAOYSA-N
XLogP3.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide
CID 110785938
2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide
CID 110779166
3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785887
N-[[4-(benzimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 166203692
2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844366
2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 110785922
3-[[2-(benzimidazol-1-yl)propanoylamino]carbamoyl]-N-benzylbenzenesulfonamide
CID 46429587
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 50844462
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110785908
4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785857

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide (CID 110785932) is N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide is CC(C)n1cnc2cc(CNS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is HQXAWHCHUPIMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13(2)20-12-18-16-10-14(8-9-17(16)20)11-19-23(21,22)15-6-4-3-5-7-15/h3-10,12-13,19H,11H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide?
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110785932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).