N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide

C17H14ClN5O2S — CID 50923246

IUPACN-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide
SMILESCc1[nH]cnc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C17H14ClN5O2S/c1-10-16(20-9-19-10)17-21-14-7-6-11(8-15(14)22-17)26(24,25)23-13-5-3-2-4-12(13)18/h2-9,23H,1H3,(H,19,20)(H,21,22)
InChIKeyDEDJYHBIMDCBRL-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.72
Rot. Bonds4

About N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide

N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide (PubChem CID 50923246) has the molecular formula C17H14ClN5O2S and a molecular weight of 387.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide
PubChem CID50923246
Molecular FormulaC17H14ClN5O2S
Molecular Weight387.85 g/mol
Exact Mass387.06
IUPAC NameN-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide
SMILESCc1[nH]cnc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C17H14ClN5O2S/c1-10-16(20-9-19-10)17-21-14-7-6-11(8-15(14)22-17)26(24,25)23-13-5-3-2-4-12(13)18/h2-9,23H,1H3,(H,19,20)(H,21,22)
InChIKeyDEDJYHBIMDCBRL-UHFFFAOYSA-N
XLogP3.72
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-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-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide (CID 50923246) is N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide is Cc1[nH]cnc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1.
What is the InChIKey of N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is DEDJYHBIMDCBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2S/c1-10-16(20-9-19-10)17-21-14-7-6-11(8-15(14)22-17)26(24,25)23-13-5-3-2-4-12(13)18/h2-9,23H,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide?
N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 387.85 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(5-methyl-1H-imidazol-4-yl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 50923246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).