4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide

C23H26N4O3S — CID 16552567

IUPAC4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H26N4O3S/c28-23(17-7-10-19(11-8-17)31(29,30)26-13-4-5-14-26)24-18-9-12-21-20(16-18)25-22-6-2-1-3-15-27(21)22/h7-12,16H,1-6,13-15H2,(H,24,28)
InChIKeyWRIFGHJLIBUDOJ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.80
Rot. Bonds4

About 4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide

4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide (PubChem CID 16552567) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
PubChem CID16552567
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H26N4O3S/c28-23(17-7-10-19(11-8-17)31(29,30)26-13-4-5-14-26)24-18-9-12-21-20(16-18)25-22-6-2-1-3-15-27(21)22/h7-12,16H,1-6,13-15H2,(H,24,28)
InChIKeyWRIFGHJLIBUDOJ-UHFFFAOYSA-N
XLogP3.80
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)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

4-(2-methoxyethylsulfamoyl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 37311482
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
2-methylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 18083676
N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
CID 4081261
2-bromo-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 40704476
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 90557243
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
2-methylsulfanyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 17434505
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide (CID 16552567) is 4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide is O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide?
The InChIKey is WRIFGHJLIBUDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c28-23(17-7-10-19(11-8-17)31(29,30)26-13-4-5-14-26)24-18-9-12-21-20(16-18)25-22-6-2-1-3-15-27(21)22/h7-12,16H,1-6,13-15H2,(H,24,28).
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide?
4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide is sourced from PubChem (CID 16552567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).