1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

C13H23N3 — CID 104943987

IUPAC1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCCC(CC)Cn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C13H23N3/c1-3-11(4-2)9-16-10-14-8-13(16)12-6-5-7-15-12/h8,10-12,15H,3-7,9H2,1-2H3/t12-/m0/s1
InChIKeyHISDBUYYIIRFOO-LBPRGKRZSA-N
MW221.35 g/mol
LogP2.74
Rot. Bonds5

About 1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104943987) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104943987
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCCC(CC)Cn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C13H23N3/c1-3-11(4-2)9-16-10-14-8-13(16)12-6-5-7-15-12/h8,10-12,15H,3-7,9H2,1-2H3/t12-/m0/s1
InChIKeyHISDBUYYIIRFOO-LBPRGKRZSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-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

Related Compounds

1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
CID 114705654
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole
CID 114707453
1-(2-methyl-3-methylsulfanylpropyl)-5-pyrrolidin-2-ylimidazole
CID 114706051
1-(2-methyl-3-methylsulfanylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943113
1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943849
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole
CID 106291736

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104943987) is 1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is CCC(CC)Cn1cncc1[C@@H]1CCCN1.
What is the InChIKey of 1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is HISDBUYYIIRFOO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11(4-2)9-16-10-14-8-13(16)12-6-5-7-15-12/h8,10-12,15H,3-7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 221.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104943987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).