1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one

C12H15N5O — CID 155914149

IUPAC1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
SMILESCc1cnc(-c2nccn2C2CCN(C)C2=O)[nH]1
InChIInChI=1S/C12H15N5O/c1-8-7-14-10(15-8)11-13-4-6-17(11)9-3-5-16(2)12(9)18/h4,6-7,9H,3,5H2,1-2H3,(H,14,15)
InChIKeyUXJCBHBVSOMODL-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.98
Rot. Bonds2

About 1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one

1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one (PubChem CID 155914149) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
PubChem CID155914149
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
SMILESCc1cnc(-c2nccn2C2CCN(C)C2=O)[nH]1
InChIInChI=1S/C12H15N5O/c1-8-7-14-10(15-8)11-13-4-6-17(11)9-3-5-16(2)12(9)18/h4,6-7,9H,3,5H2,1-2H3,(H,14,15)
InChIKeyUXJCBHBVSOMODL-UHFFFAOYSA-N
XLogP0.98
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]pyrrolidin-2-one
CID 146040356
3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 165422015
3-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 146039804
3-[2-(8-methoxyquinolin-2-yl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 146038802
3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 167783974
1-(1-methyl-2-oxopyrrolidin-3-yl)-2-sulfanylidenepyrimidin-4-one
CID 106259294
3-[2-(2-methoxy-4-phenylmethoxyphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 154563903
2-[(3S,7S,8aS)-7-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]ethanol
CID 155910278
1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one
CID 142557104
3-(4-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one
CID 165479281
5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114582511
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259446

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one (CID 155914149) is 1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one is Cc1cnc(-c2nccn2C2CCN(C)C2=O)[nH]1.
What is the InChIKey of 1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one?
The InChIKey is UXJCBHBVSOMODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-7-14-10(15-8)11-13-4-6-17(11)9-3-5-16(2)12(9)18/h4,6-7,9H,3,5H2,1-2H3,(H,14,15).
What are the key properties of 1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one?
1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one has a molecular weight of 245.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 155914149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).