1-hexan-2-yl-5-pyrrolidin-2-ylimidazole

C13H23N3 — CID 114705557

IUPAC1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
SMILESCCCCC(C)n1cncc1C1CCCN1
InChIInChI=1S/C13H23N3/c1-3-4-6-11(2)16-10-14-9-13(16)12-7-5-8-15-12/h9-12,15H,3-8H2,1-2H3
InChIKeyQRJGOQHQELRKNC-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.06
Rot. Bonds5

About 1-hexan-2-yl-5-pyrrolidin-2-ylimidazole

1-hexan-2-yl-5-pyrrolidin-2-ylimidazole (PubChem CID 114705557) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-hexan-2-yl-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
PubChem CID114705557
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
SMILESCCCCC(C)n1cncc1C1CCCN1
InChIInChI=1S/C13H23N3/c1-3-4-6-11(2)16-10-14-9-13(16)12-7-5-8-15-12/h9-12,15H,3-8H2,1-2H3
InChIKeyQRJGOQHQELRKNC-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-hexan-2-yl-5-pyrrolidin-2-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

1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
2-(3-octan-4-ylimidazol-4-yl)piperidine
CID 106022201
1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707
1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943720
5-cyclopropyl-1-heptan-2-ylimidazole
CID 116811645
3-(3-octan-2-ylimidazol-4-yl)piperidine
CID 114704680
1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942681
2-methyl-6-(3-pentan-2-ylimidazol-4-yl)piperidine
CID 114716663
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705914
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-hexan-2-yl-5-pyrrolidin-2-ylimidazole (CID 114705557) is 1-hexan-2-yl-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-hexan-2-yl-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-hexan-2-yl-5-pyrrolidin-2-ylimidazole is CCCCC(C)n1cncc1C1CCCN1.
What is the InChIKey of 1-hexan-2-yl-5-pyrrolidin-2-ylimidazole?
The InChIKey is QRJGOQHQELRKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-4-6-11(2)16-10-14-9-13(16)12-7-5-8-15-12/h9-12,15H,3-8H2,1-2H3.
What are the key properties of 1-hexan-2-yl-5-pyrrolidin-2-ylimidazole?
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole has a molecular weight of 221.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114705557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).