1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide

C16H17N3O2S — CID 110760271

IUPAC1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide
SMILESCn1cnc2cc(S(=O)(=O)NCCc3ccccc3)ccc21
InChIInChI=1S/C16H17N3O2S/c1-19-12-17-15-11-14(7-8-16(15)19)22(20,21)18-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3
InChIKeyGSOAHSSWKKZZOR-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.09
Rot. Bonds5

About 1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide

1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide (PubChem CID 110760271) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide
PubChem CID110760271
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide
SMILESCn1cnc2cc(S(=O)(=O)NCCc3ccccc3)ccc21
InChIInChI=1S/C16H17N3O2S/c1-19-12-17-15-11-14(7-8-16(15)19)22(20,21)18-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3
InChIKeyGSOAHSSWKKZZOR-UHFFFAOYSA-N
XLogP2.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791675
4-fluoro-3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791682
N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide
CID 110760236
4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785857
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
3-acetyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785887
benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate
CID 110791642
N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 110760324
2-(1-methylbenzimidazol-5-yl)sulfonylethanamine
CID 116853429
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide?
The IUPAC name of 1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide (CID 110760271) is 1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide is Cn1cnc2cc(S(=O)(=O)NCCc3ccccc3)ccc21.
What is the InChIKey of 1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide?
The InChIKey is GSOAHSSWKKZZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-19-12-17-15-11-14(7-8-16(15)19)22(20,21)18-10-9-13-5-3-2-4-6-13/h2-8,11-12,18H,9-10H2,1H3.
What are the key properties of 1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide?
1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).