N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide

C22H20N4O3S — CID 166200782

IUPACN-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(Cn3cnc4ccccc43)c2)c1
InChIInChI=1S/C22H20N4O3S/c1-30(28,29)25-19-9-5-7-17(13-19)22(27)24-18-8-4-6-16(12-18)14-26-15-23-20-10-2-3-11-21(20)26/h2-13,15,25H,14H2,1H3,(H,24,27)
InChIKeyWNMICSZAGLUDPP-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.71
Rot. Bonds6

About N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide

N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide (PubChem CID 166200782) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide
PubChem CID166200782
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(Cn3cnc4ccccc43)c2)c1
InChIInChI=1S/C22H20N4O3S/c1-30(28,29)25-19-9-5-7-17(13-19)22(27)24-18-8-4-6-16(12-18)14-26-15-23-20-10-2-3-11-21(20)26/h2-13,15,25H,14H2,1H3,(H,24,27)
InChIKeyWNMICSZAGLUDPP-UHFFFAOYSA-N
XLogP3.71
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide 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-(benzimidazol-1-yl)-3-(methanesulfonamido)benzamide
CID 18126221
N-[3-(benzimidazol-1-ylmethyl)phenyl]-2-benzylsulfanylacetamide
CID 166200570
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
(3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 95617946
4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide
CID 60610861
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 155516452
N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
CID 31489648
3-(benzimidazol-1-ylmethyl)benzenecarbothioamide
CID 24703468
3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46328435
N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 17139121
3-(methanesulfonamido)-N-(1-methylpyrazol-3-yl)benzamide
CID 37242332

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide (CID 166200782) is N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(Cn3cnc4ccccc43)c2)c1.
What is the InChIKey of N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide?
The InChIKey is WNMICSZAGLUDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-30(28,29)25-19-9-5-7-17(13-19)22(27)24-18-8-4-6-16(12-18)14-26-15-23-20-10-2-3-11-21(20)26/h2-13,15,25H,14H2,1H3,(H,24,27).
What are the key properties of N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide?
N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide has a molecular weight of 420.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-ylmethyl)phenyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 166200782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).