1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one

C13H16N4O — CID 113341915

IUPAC1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one
SMILESCN1CCC(Nc2nc3ccccc3n2C)C1=O
InChIInChI=1S/C13H16N4O/c1-16-8-7-10(12(16)18)15-13-14-9-5-3-4-6-11(9)17(13)2/h3-6,10H,7-8H2,1-2H3,(H,14,15)
InChIKeyFEZGKBSGVDRAJE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.22
Rot. Bonds2

About 1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one

1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one (PubChem CID 113341915) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one
PubChem CID113341915
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one
SMILESCN1CCC(Nc2nc3ccccc3n2C)C1=O
InChIInChI=1S/C13H16N4O/c1-16-8-7-10(12(16)18)15-13-14-9-5-3-4-6-11(9)17(13)2/h3-6,10H,7-8H2,1-2H3,(H,14,15)
InChIKeyFEZGKBSGVDRAJE-UHFFFAOYSA-N
XLogP1.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-aminoquinazolin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258511
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one
CID 64669796
1-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]quinolin-2-one
CID 106258245
1-methyl-N-(3-methylcyclopentyl)benzimidazol-2-amine
CID 114547792
1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one
CID 71921220
N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]quinoline-2-carboxamide
CID 96506885
N-(2-cyclopropyloxolan-3-yl)-1-methylbenzimidazol-2-amine
CID 103868382
6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 103680905
1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one
CID 106258032
N-(1-methylbenzimidazol-2-yl)formamide
CID 142858770
1-methyl-N-(2-propylcyclopropyl)benzimidazol-2-amine
CID 103868174

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one (CID 113341915) is 1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one is CN1CCC(Nc2nc3ccccc3n2C)C1=O.
What is the InChIKey of 1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one?
The InChIKey is FEZGKBSGVDRAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-8-7-10(12(16)18)15-13-14-9-5-3-4-6-11(9)17(13)2/h3-6,10H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one?
1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one has a molecular weight of 244.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 113341915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).