3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one

C13H16N4O — CID 106258960

IUPAC3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one
SMILESCc1cccc2c1nc(N)n2C1CCN(C)C1=O
InChIInChI=1S/C13H16N4O/c1-8-4-3-5-9-11(8)15-13(14)17(9)10-6-7-16(2)12(10)18/h3-5,10H,6-7H2,1-2H3,(H2,14,15)
InChIKeyVRQGGTIKCOJJMF-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.33
Rot. Bonds1

About 3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one

3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one (PubChem CID 106258960) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one
PubChem CID106258960
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one
SMILESCc1cccc2c1nc(N)n2C1CCN(C)C1=O
InChIInChI=1S/C13H16N4O/c1-8-4-3-5-9-11(8)15-13(14)17(9)10-6-7-16(2)12(10)18/h3-5,10H,6-7H2,1-2H3,(H2,14,15)
InChIKeyVRQGGTIKCOJJMF-UHFFFAOYSA-N
XLogP1.33
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258949
2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 106253144
3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258982
4-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793880
4-methyl-1-(5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazol-2-amine
CID 141030573
1,4-dimethylbenzimidazol-2-amine;dihydrochloride
CID 174932005
2-(1-chloroethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carbonitrile
CID 106259225
1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one
CID 116626986
3-(4-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one
CID 165479281
3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one
CID 130496569
3-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259207
4-fluoro-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzimidazol-2-amine
CID 65472995

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one (CID 106258960) is 3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one is Cc1cccc2c1nc(N)n2C1CCN(C)C1=O.
What is the InChIKey of 3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one?
The InChIKey is VRQGGTIKCOJJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-4-3-5-9-11(8)15-13(14)17(9)10-6-7-16(2)12(10)18/h3-5,10H,6-7H2,1-2H3,(H2,14,15).
What are the key properties of 3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one?
3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one has a molecular weight of 244.30 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106258960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).