4-(4-butylphenyl)-1-(3-chloropropyl)imidazole

C16H21ClN2 — CID 10265489

IUPAC4-(4-butylphenyl)-1-(3-chloropropyl)imidazole
SMILESCCCCc1ccc(-c2cn(CCCCl)cn2)cc1
InChIInChI=1S/C16H21ClN2/c1-2-3-5-14-6-8-15(9-7-14)16-12-19(13-18-16)11-4-10-17/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyJUMVKFJWSAVMMH-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.52
Rot. Bonds7

About 4-(4-butylphenyl)-1-(3-chloropropyl)imidazole

4-(4-butylphenyl)-1-(3-chloropropyl)imidazole (PubChem CID 10265489) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 4-(4-butylphenyl)-1-(3-chloropropyl)imidazole.

Molecular Properties

Compound Name4-(4-butylphenyl)-1-(3-chloropropyl)imidazole
PubChem CID10265489
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name4-(4-butylphenyl)-1-(3-chloropropyl)imidazole
SMILESCCCCc1ccc(-c2cn(CCCCl)cn2)cc1
InChIInChI=1S/C16H21ClN2/c1-2-3-5-14-6-8-15(9-7-14)16-12-19(13-18-16)11-4-10-17/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyJUMVKFJWSAVMMH-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-butylphenyl)-1-(3-chloropropyl)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

4-(4-butylphenyl)-1-methylimidazole
CID 82078465
4-(1-propylimidazol-4-yl)pyridine
CID 173238933
1-(chloromethyl)-4-(4-methylphenyl)imidazole
CID 91755144
1-butyl-4-(2-chlorophenyl)imidazole
CID 174588964
4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine
CID 18694797
3-(4-butylphenyl)-5-(3-chloropropylsulfanyl)-4-methyl-1,2,4-triazole
CID 91757471
1-butoxy-4-[4-(3-chloropropyl)phenyl]benzene
CID 19789115
1-(chloromethyl)-4-(4-methoxyphenyl)imidazole
CID 53415933
1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
CID 107495955
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
6-(4-butylphenyl)-4-chloropyridine-3-carbonitrile
CID 21388867
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-1-(3-chloropropyl)imidazole?
The IUPAC name of 4-(4-butylphenyl)-1-(3-chloropropyl)imidazole (CID 10265489) is 4-(4-butylphenyl)-1-(3-chloropropyl)imidazole.
What is the SMILES notation for 4-(4-butylphenyl)-1-(3-chloropropyl)imidazole?
The canonical SMILES for 4-(4-butylphenyl)-1-(3-chloropropyl)imidazole is CCCCc1ccc(-c2cn(CCCCl)cn2)cc1.
What is the InChIKey of 4-(4-butylphenyl)-1-(3-chloropropyl)imidazole?
The InChIKey is JUMVKFJWSAVMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-2-3-5-14-6-8-15(9-7-14)16-12-19(13-18-16)11-4-10-17/h6-9,12-13H,2-5,10-11H2,1H3.
What are the key properties of 4-(4-butylphenyl)-1-(3-chloropropyl)imidazole?
4-(4-butylphenyl)-1-(3-chloropropyl)imidazole has a molecular weight of 276.81 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-1-(3-chloropropyl)imidazole is sourced from PubChem (CID 10265489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).