N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide

C25H21N3O4S — CID 2106395

IUPACN-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3nc(COc4cccc5ccccc45)[nH]c3c2)cc1
InChIInChI=1S/C25H21N3O4S/c1-31-19-11-9-18(10-12-19)28-33(29,30)20-13-14-22-23(15-20)27-25(26-22)16-32-24-8-4-6-17-5-2-3-7-21(17)24/h2-15,28H,16H2,1H3,(H,26,27)
InChIKeyQUWDHYVVJHSYHA-UHFFFAOYSA-N
MW459.53 g/mol
LogP5.10
Rot. Bonds7

About N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide

N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 2106395) has the molecular formula C25H21N3O4S and a molecular weight of 459.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide
PubChem CID2106395
Molecular FormulaC25H21N3O4S
Molecular Weight459.53 g/mol
Exact Mass459.13
IUPAC NameN-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3nc(COc4cccc5ccccc45)[nH]c3c2)cc1
InChIInChI=1S/C25H21N3O4S/c1-31-19-11-9-18(10-12-19)28-33(29,30)20-13-14-22-23(15-20)27-25(26-22)16-32-24-8-4-6-17-5-2-3-7-21(17)24/h2-15,28H,16H2,1H3,(H,26,27)
InChIKeyQUWDHYVVJHSYHA-UHFFFAOYSA-N
XLogP5.10
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.53
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-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

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide (CID 2106395) is N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3nc(COc4cccc5ccccc45)[nH]c3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is QUWDHYVVJHSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S/c1-31-19-11-9-18(10-12-19)28-33(29,30)20-13-14-22-23(15-20)27-25(26-22)16-32-24-8-4-6-17-5-2-3-7-21(17)24/h2-15,28H,16H2,1H3,(H,26,27).
What are the key properties of N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide?
N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 459.53 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(naphthalen-1-yloxymethyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 2106395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).