4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide

C19H18N4O4S — CID 137490400

IUPAC4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(-n2cnc3ccc(C(=O)N4CCC4)cc32)cc1
InChIInChI=1S/C19H18N4O4S/c1-28(26,27)21-18(24)13-3-6-15(7-4-13)23-12-20-16-8-5-14(11-17(16)23)19(25)22-9-2-10-22/h3-8,11-12H,2,9-10H2,1H3,(H,21,24)
InChIKeyDKORVIKWMDVDRK-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.56
Rot. Bonds4

About 4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide

4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide (PubChem CID 137490400) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide
PubChem CID137490400
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(-n2cnc3ccc(C(=O)N4CCC4)cc32)cc1
InChIInChI=1S/C19H18N4O4S/c1-28(26,27)21-18(24)13-3-6-15(7-4-13)23-12-20-16-8-5-14(11-17(16)23)19(25)22-9-2-10-22/h3-8,11-12H,2,9-10H2,1H3,(H,21,24)
InChIKeyDKORVIKWMDVDRK-UHFFFAOYSA-N
XLogP1.56
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide 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

azetidin-1-yl-[3-[4-(1-methylpyrazol-4-yl)phenyl]benzimidazol-5-yl]methanone
CID 137490311
4-(benzimidazol-1-yl)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 55950490
[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 71307830
azepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469131
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830
[3-(4-chlorophenyl)benzimidazol-5-yl]-(5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)methanone
CID 128721783
[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488829
1,4-diazepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
CID 110469134
[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 156810853
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 17438768
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187

Frequently Asked Questions

What is the IUPAC name of 4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide?
The IUPAC name of 4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide (CID 137490400) is 4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1ccc(-n2cnc3ccc(C(=O)N4CCC4)cc32)cc1.
What is the InChIKey of 4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide?
The InChIKey is DKORVIKWMDVDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-28(26,27)21-18(24)13-3-6-15(7-4-13)23-12-20-16-8-5-14(11-17(16)23)19(25)22-9-2-10-22/h3-8,11-12H,2,9-10H2,1H3,(H,21,24).
What are the key properties of 4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide?
4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide has a molecular weight of 398.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(azetidine-1-carbonyl)benzimidazol-1-yl]-N-methylsulfonylbenzamide is sourced from PubChem (CID 137490400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).