4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one

C14H19N5O — CID 70781490

IUPAC4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(n2ccnc2-c2nccn2C)CC1=O
InChIInChI=1S/C14H19N5O/c1-10(2)19-9-11(8-12(19)20)18-7-5-16-14(18)13-15-4-6-17(13)3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyVCNNJEMDEFJKCZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.47
Rot. Bonds3

About 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one

4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 70781490) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID70781490
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(n2ccnc2-c2nccn2C)CC1=O
InChIInChI=1S/C14H19N5O/c1-10(2)19-9-11(8-12(19)20)18-7-5-16-14(18)13-15-4-6-17(13)3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyVCNNJEMDEFJKCZ-UHFFFAOYSA-N
XLogP1.47
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one (CID 70781490) is 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(n2ccnc2-c2nccn2C)CC1=O.
What is the InChIKey of 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is VCNNJEMDEFJKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(2)19-9-11(8-12(19)20)18-7-5-16-14(18)13-15-4-6-17(13)3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one?
4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 70781490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).