N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide

C28H25N3O4S — CID 155547270

IUPACN-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(-c2nc3ccccc3n2CCCOc2cccc3ccccc23)cc1
InChIInChI=1S/C28H25N3O4S/c1-36(33,34)30-28(32)22-16-14-21(15-17-22)27-29-24-11-4-5-12-25(24)31(27)18-7-19-35-26-13-6-9-20-8-2-3-10-23(20)26/h2-6,8-17H,7,18-19H2,1H3,(H,30,32)
InChIKeyGXMYPZXIJNJZKN-UHFFFAOYSA-N
MW499.59 g/mol
LogP5.01
Rot. Bonds8

About N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide

N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide (PubChem CID 155547270) has the molecular formula C28H25N3O4S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide
PubChem CID155547270
Molecular FormulaC28H25N3O4S
Molecular Weight499.59 g/mol
Exact Mass499.16
IUPAC NameN-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(-c2nc3ccccc3n2CCCOc2cccc3ccccc23)cc1
InChIInChI=1S/C28H25N3O4S/c1-36(33,34)30-28(32)22-16-14-21(15-17-22)27-29-24-11-4-5-12-25(24)31(27)18-7-19-35-26-13-6-9-20-8-2-3-10-23(20)26/h2-6,8-17H,7,18-19H2,1H3,(H,30,32)
InChIKeyGXMYPZXIJNJZKN-UHFFFAOYSA-N
XLogP5.01
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide 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

N-[1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967403
4-bromo-N-[[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17009240
2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propan-2-ol
CID 19242286
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828
2-(2-bromophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 18879150
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16975966
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
3,4-dimethoxy-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976917
1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol
CID 3160724
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
1-[4-(2,6-dimethylphenoxy)butyl]-2-(4-fluorophenyl)benzimidazole
CID 19243167

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide?
The IUPAC name of N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide (CID 155547270) is N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide is CS(=O)(=O)NC(=O)c1ccc(-c2nc3ccccc3n2CCCOc2cccc3ccccc23)cc1.
What is the InChIKey of N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide?
The InChIKey is GXMYPZXIJNJZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S/c1-36(33,34)30-28(32)22-16-14-21(15-17-22)27-29-24-11-4-5-12-25(24)31(27)18-7-19-35-26-13-6-9-20-8-2-3-10-23(20)26/h2-6,8-17H,7,18-19H2,1H3,(H,30,32).
What are the key properties of N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide?
N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide has a molecular weight of 499.59 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 155547270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).