N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide

C12H20N4O — CID 61372754

IUPACN-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
SMILESCC(Cn1ccnc1)NC(=O)CC1CCCN1
InChIInChI=1S/C12H20N4O/c1-10(8-16-6-5-13-9-16)15-12(17)7-11-3-2-4-14-11/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyLIWGUIOQNJQFNW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.53
Rot. Bonds5

About N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide

N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61372754) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID61372754
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
SMILESCC(Cn1ccnc1)NC(=O)CC1CCCN1
InChIInChI=1S/C12H20N4O/c1-10(8-16-6-5-13-9-16)15-12(17)7-11-3-2-4-14-11/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyLIWGUIOQNJQFNW-UHFFFAOYSA-N
XLogP0.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide 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 N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide (CID 61372754) is N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide is CC(Cn1ccnc1)NC(=O)CC1CCCN1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is LIWGUIOQNJQFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(8-16-6-5-13-9-16)15-12(17)7-11-3-2-4-14-11/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,15,17).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide?
N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61372754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).