2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole

C11H18ClN3 — CID 117259825

IUPAC2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole
SMILESCC(C)N1CCC(c2cnc(Cl)n2C)C1
InChIInChI=1S/C11H18ClN3/c1-8(2)15-5-4-9(7-15)10-6-13-11(12)14(10)3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyUPHITGAEMZZPLF-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.27
Rot. Bonds2

About 2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole

2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole (PubChem CID 117259825) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole.

Molecular Properties

Compound Name2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole
PubChem CID117259825
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole
SMILESCC(C)N1CCC(c2cnc(Cl)n2C)C1
InChIInChI=1S/C11H18ClN3/c1-8(2)15-5-4-9(7-15)10-6-13-11(12)14(10)3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyUPHITGAEMZZPLF-UHFFFAOYSA-N
XLogP2.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole 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 2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole?
The IUPAC name of 2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole (CID 117259825) is 2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole.
What is the SMILES notation for 2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole?
The canonical SMILES for 2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole is CC(C)N1CCC(c2cnc(Cl)n2C)C1.
What is the InChIKey of 2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole?
The InChIKey is UPHITGAEMZZPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8(2)15-5-4-9(7-15)10-6-13-11(12)14(10)3/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole?
2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole has a molecular weight of 227.74 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole is sourced from PubChem (CID 117259825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).