2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole

C13H21ClN2 — CID 79760428

IUPAC2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole
SMILESCCCn1ccnc1CCCC(Cl)C1CC1
InChIInChI=1S/C13H21ClN2/c1-2-9-16-10-8-15-13(16)5-3-4-12(14)11-6-7-11/h8,10-12H,2-7,9H2,1H3
InChIKeyGIFAADOWTGTXBR-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.63
Rot. Bonds7

About 2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole

2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole (PubChem CID 79760428) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole.

Molecular Properties

Compound Name2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole
PubChem CID79760428
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole
SMILESCCCn1ccnc1CCCC(Cl)C1CC1
InChIInChI=1S/C13H21ClN2/c1-2-9-16-10-8-15-13(16)5-3-4-12(14)11-6-7-11/h8,10-12H,2-7,9H2,1H3
InChIKeyGIFAADOWTGTXBR-UHFFFAOYSA-N
XLogP3.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole 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-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 79762298
1-cyclopropyl-N-ethyl-4-(1-ethylimidazol-2-yl)butan-1-amine
CID 79762173
N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine
CID 79761328
1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
CID 79761213
2-(3-bromobutyl)-1-propylimidazole
CID 64508695
1-(4-propylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761510
1,2-di(pentadecyl)imidazole
CID 69388452
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole
CID 103013956
N-methyl-1-(3-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79762352
2-butyl-1-(3-propan-2-yloxypropyl)imidazole
CID 57089790
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole?
The IUPAC name of 2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole (CID 79760428) is 2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole.
What is the SMILES notation for 2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole?
The canonical SMILES for 2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole is CCCn1ccnc1CCCC(Cl)C1CC1.
What is the InChIKey of 2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole?
The InChIKey is GIFAADOWTGTXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-2-9-16-10-8-15-13(16)5-3-4-12(14)11-6-7-11/h8,10-12H,2-7,9H2,1H3.
What are the key properties of 2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole?
2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole has a molecular weight of 240.78 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole is sourced from PubChem (CID 79760428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).