N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide

C13H15BrN4O2 — CID 102778104

IUPACN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H15BrN4O2/c1-6-2-3-15-11(6)12(19)16-8-5-10-9(4-7(8)14)17-13(20)18-10/h4-6,11,15H,2-3H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyLHFVCHKNWMNKQT-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.56
Rot. Bonds2

About N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide

N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102778104) has the molecular formula C13H15BrN4O2 and a molecular weight of 339.19 g/mol. Its IUPAC name is N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102778104
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19 g/mol
Exact Mass338.04
IUPAC NameN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H15BrN4O2/c1-6-2-3-15-11(6)12(19)16-8-5-10-9(4-7(8)14)17-13(20)18-10/h4-6,11,15H,2-3H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyLHFVCHKNWMNKQT-UHFFFAOYSA-N
XLogP1.56
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-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

3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 102777495
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
N-(2-bromo-4-methyl-5-nitrophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102780033
N-(2-bromo-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107625732
2-bromo-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779861
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102778964
4-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)oxolane-3-carboxamide
CID 66240635
3-methyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 102779633
N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102778094
N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776806
N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777919

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide (CID 102778104) is N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is LHFVCHKNWMNKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2/c1-6-2-3-15-11(6)12(19)16-8-5-10-9(4-7(8)14)17-13(20)18-10/h4-6,11,15H,2-3H2,1H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide?
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 339.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102778104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).