2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

C25H25N5O4S — CID 55657099

IUPAC2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C25H25N5O4S/c31-24(26-16-17-7-9-18(10-8-17)30-13-3-4-14-30)20-5-1-2-6-21(20)29-35(33,34)19-11-12-22-23(15-19)28-25(32)27-22/h1-2,5-12,15,29H,3-4,13-14,16H2,(H,26,31)(H2,27,28,32)
InChIKeyFTRJBADGOMGERJ-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.19
Rot. Bonds7

About 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 55657099) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID55657099
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C25H25N5O4S/c31-24(26-16-17-7-9-18(10-8-17)30-13-3-4-14-30)20-5-1-2-6-21(20)29-35(33,34)19-11-12-22-23(15-19)28-25(32)27-22/h1-2,5-12,15,29H,3-4,13-14,16H2,(H,26,31)(H2,27,28,32)
InChIKeyFTRJBADGOMGERJ-UHFFFAOYSA-N
XLogP3.19
TPSA127.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110405118
N-[2-(azetidine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 24658991
N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 26549596
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 26549583
N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 46673539
ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate
CID 56558807
N-[3-[benzyl(methyl)amino]propyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 29239385
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 55584938
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 24983098

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 55657099) is 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide is O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is FTRJBADGOMGERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c31-24(26-16-17-7-9-18(10-8-17)30-13-3-4-14-30)20-5-1-2-6-21(20)29-35(33,34)19-11-12-22-23(15-19)28-25(32)27-22/h1-2,5-12,15,29H,3-4,13-14,16H2,(H,26,31)(H2,27,28,32).
What are the key properties of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 491.57 g/mol, XLogP of 3.19, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55657099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).