2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide

C23H21ClN4O4S — CID 57328617

IUPAC2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4ccc(Cl)cc4)nc23)cc1
InChIInChI=1S/C23H21ClN4O4S/c1-33(31,32)28-17-8-2-14(3-9-17)12-13-25-23(30)18-10-11-19(29)21-20(18)26-22(27-21)15-4-6-16(24)7-5-15/h2-11,28-29H,12-13H2,1H3,(H,25,30)(H,26,27)
InChIKeyOPQPTLILQCWIHW-UHFFFAOYSA-N
MW484.97 g/mol
LogP3.93
Rot. Bonds7

About 2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide

2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide (PubChem CID 57328617) has the molecular formula C23H21ClN4O4S and a molecular weight of 484.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
PubChem CID57328617
Molecular FormulaC23H21ClN4O4S
Molecular Weight484.97 g/mol
Exact Mass484.10
IUPAC Name2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide
SMILESCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4ccc(Cl)cc4)nc23)cc1
InChIInChI=1S/C23H21ClN4O4S/c1-33(31,32)28-17-8-2-14(3-9-17)12-13-25-23(30)18-10-11-19(29)21-20(18)26-22(27-21)15-4-6-16(24)7-5-15/h2-11,28-29H,12-13H2,1H3,(H,25,30)(H,26,27)
InChIKeyOPQPTLILQCWIHW-UHFFFAOYSA-N
XLogP3.93
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.97
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide (CID 57328617) is 2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide is CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4ccc(Cl)cc4)nc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is OPQPTLILQCWIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4S/c1-33(31,32)28-17-8-2-14(3-9-17)12-13-25-23(30)18-10-11-19(29)21-20(18)26-22(27-21)15-4-6-16(24)7-5-15/h2-11,28-29H,12-13H2,1H3,(H,25,30)(H,26,27).
What are the key properties of 2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide?
2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 484.97 g/mol, XLogP of 3.93, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-hydroxy-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 57328617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).