3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide

C13H16N4O2 — CID 102777495

IUPAC3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H16N4O2/c1-7-4-5-14-11(7)12(18)15-8-2-3-9-10(6-8)17-13(19)16-9/h2-3,6-7,11,14H,4-5H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyPHQPTDWMLLQDSO-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.79
Rot. Bonds2

About 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide

3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 102777495) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID102777495
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H16N4O2/c1-7-4-5-14-11(7)12(18)15-8-2-3-9-10(6-8)17-13(19)16-9/h2-3,6-7,11,14H,4-5H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyPHQPTDWMLLQDSO-UHFFFAOYSA-N
XLogP0.79
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 51532166
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778104
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
2-bromo-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779861
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102779041
3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 102778022
N-(1H-indazol-6-yl)-3-methylpiperidine-2-carboxamide
CID 107067459
4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclohexane-1-carboxamide
CID 42982642
3-methyl-N-(3-methyl-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 102779250
3-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 102777058
2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 102779763

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide (CID 102777495) is 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is PHQPTDWMLLQDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7-4-5-14-11(7)12(18)15-8-2-3-9-10(6-8)17-13(19)16-9/h2-3,6-7,11,14H,4-5H2,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide?
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.79, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102777495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).