N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide

C23H22N4O3S — CID 78839242

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C23H22N4O3S/c1-14-10-18(12-21(15(14)2)31(24,29)30)23(28)27-22(16-6-4-3-5-7-16)17-8-9-19-20(11-17)26-13-25-19/h3-13,22H,1-2H3,(H,25,26)(H,27,28)(H2,24,29,30)
InChIKeyREGIQBOPVKUXBF-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.35
Rot. Bonds5

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 78839242) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide
PubChem CID78839242
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C23H22N4O3S/c1-14-10-18(12-21(15(14)2)31(24,29)30)23(28)27-22(16-6-4-3-5-7-16)17-8-9-19-20(11-17)26-13-25-19/h3-13,22H,1-2H3,(H,25,26)(H,27,28)(H2,24,29,30)
InChIKeyREGIQBOPVKUXBF-UHFFFAOYSA-N
XLogP3.35
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide (CID 78839242) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide is Cc1cc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is REGIQBOPVKUXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14-10-18(12-21(15(14)2)31(24,29)30)23(28)27-22(16-6-4-3-5-7-16)17-8-9-19-20(11-17)26-13-25-19/h3-13,22H,1-2H3,(H,25,26)(H,27,28)(H2,24,29,30).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 434.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 78839242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).