2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide

C25H25Cl2N5O3S — CID 123954674

IUPAC2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(N(C)C)cc4[nH]3)c2)c(Cl)c1
InChIInChI=1S/C25H25Cl2N5O3S/c1-4-11-28-36(34,35)17-7-8-18(21(27)14-17)25(33)29-15-5-9-20(26)19(12-15)24-30-22-10-6-16(32(2)3)13-23(22)31-24/h5-10,12-14,28H,4,11H2,1-3H3,(H,29,33)(H,30,31)
InChIKeyRPHGBKHHLKKOEM-UHFFFAOYSA-N
MW546.48 g/mol
LogP5.54
Rot. Bonds8

About 2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide

2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide (PubChem CID 123954674) has the molecular formula C25H25Cl2N5O3S and a molecular weight of 546.48 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide
PubChem CID123954674
Molecular FormulaC25H25Cl2N5O3S
Molecular Weight546.48 g/mol
Exact Mass545.11
IUPAC Name2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(N(C)C)cc4[nH]3)c2)c(Cl)c1
InChIInChI=1S/C25H25Cl2N5O3S/c1-4-11-28-36(34,35)17-7-8-18(21(27)14-17)25(33)29-15-5-9-20(26)19(12-15)24-30-22-10-6-16(32(2)3)13-23(22)31-24/h5-10,12-14,28H,4,11H2,1-3H3,(H,29,33)(H,30,31)
InChIKeyRPHGBKHHLKKOEM-UHFFFAOYSA-N
XLogP5.54
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.48
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide 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 2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide (CID 123954674) is 2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(N(C)C)cc4[nH]3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide?
The InChIKey is RPHGBKHHLKKOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N5O3S/c1-4-11-28-36(34,35)17-7-8-18(21(27)14-17)25(33)29-15-5-9-20(26)19(12-15)24-30-22-10-6-16(32(2)3)13-23(22)31-24/h5-10,12-14,28H,4,11H2,1-3H3,(H,29,33)(H,30,31).
What are the key properties of 2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide?
2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide has a molecular weight of 546.48 g/mol, XLogP of 5.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-4-(propylsulfamoyl)benzamide is sourced from PubChem (CID 123954674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).