1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole

C16H21N3 — CID 114716402

IUPAC1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
SMILESCC(C)c1ccc(-n2cncc2C2CCNC2)cc1
InChIInChI=1S/C16H21N3/c1-12(2)13-3-5-15(6-4-13)19-11-18-10-16(19)14-7-8-17-9-14/h3-6,10-12,14,17H,7-9H2,1-2H3
InChIKeyLIQMWIWXYTULPM-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.07
Rot. Bonds3

About 1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole

1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114716402) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
PubChem CID114716402
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
SMILESCC(C)c1ccc(-n2cncc2C2CCNC2)cc1
InChIInChI=1S/C16H21N3/c1-12(2)13-3-5-15(6-4-13)19-11-18-10-16(19)14-7-8-17-9-14/h3-6,10-12,14,17H,7-9H2,1-2H3
InChIKeyLIQMWIWXYTULPM-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-(4-propan-2-ylphenyl)imidazol-4-yl]piperidine
CID 114702820
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611
3-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]piperidine
CID 114704028
4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
CID 114702647
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716120
1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719747
3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
CID 114223410
1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
CID 114722129
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole (CID 114716402) is 1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole is CC(C)c1ccc(-n2cncc2C2CCNC2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is LIQMWIWXYTULPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(2)13-3-5-15(6-4-13)19-11-18-10-16(19)14-7-8-17-9-14/h3-6,10-12,14,17H,7-9H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole?
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 255.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114716402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).