1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide

C22H20N4O3S — CID 11718716

IUPAC1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)ncn2-c1cccc(-c2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C22H20N4O3S/c1-23-22(27)17-9-10-21-20(13-17)24-14-26(21)19-8-4-6-16(12-19)15-5-3-7-18(11-15)25-30(2,28)29/h3-14,25H,1-2H3,(H,23,27)
InChIKeyYJXKMFPPTIVHOL-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.42
Rot. Bonds5

About 1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide

1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide (PubChem CID 11718716) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide
PubChem CID11718716
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)ncn2-c1cccc(-c2cccc(NS(C)(=O)=O)c2)c1
InChIInChI=1S/C22H20N4O3S/c1-23-22(27)17-9-10-21-20(13-17)24-14-26(21)19-8-4-6-16(12-19)15-5-3-7-18(11-15)25-30(2,28)29/h3-14,25H,1-2H3,(H,23,27)
InChIKeyYJXKMFPPTIVHOL-UHFFFAOYSA-N
XLogP3.42
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]benzimidazole-5-carboxamide
CID 67011817
1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
N-(benzimidazol-1-yl)-3-(methanesulfonamido)benzamide
CID 18126221
1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
CID 3447663
N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
CID 121080165
1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide
CID 24768668
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine
CID 170990930
1-(3-methylphenyl)-N-octylbenzimidazole-5-carboxamide
CID 3614186
5-[3-[5-(N-methoxy-C-methylcarbonimidoyl)benzimidazol-1-yl]phenyl]pyrimidin-2-amine
CID 87417006
N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide
CID 67096068

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of 1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide (CID 11718716) is 1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)ncn2-c1cccc(-c2cccc(NS(C)(=O)=O)c2)c1.
What is the InChIKey of 1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide?
The InChIKey is YJXKMFPPTIVHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-23-22(27)17-9-10-21-20(13-17)24-14-26(21)19-8-4-6-16(12-19)15-5-3-7-18(11-15)25-30(2,28)29/h3-14,25H,1-2H3,(H,23,27).
What are the key properties of 1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide?
1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(methanesulfonamido)phenyl]phenyl]-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 11718716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).