1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole

C23H25ClN2O — CID 54505880

IUPAC1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole
SMILESCc1ccc(CC(CCn2ccnc2)OCC=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN2O/c1-19-4-6-21(7-5-19)17-23(12-14-26-15-13-25-18-26)27-16-2-3-20-8-10-22(24)11-9-20/h2-11,13,15,18,23H,12,14,16-17H2,1H3
InChIKeyYFQTVFQDTWFWFG-UHFFFAOYSA-N
MW380.92 g/mol
LogP5.58
Rot. Bonds9

About 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole

1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole (PubChem CID 54505880) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole.

Molecular Properties

Compound Name1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole
PubChem CID54505880
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole
SMILESCc1ccc(CC(CCn2ccnc2)OCC=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN2O/c1-19-4-6-21(7-5-19)17-23(12-14-26-15-13-25-18-26)27-16-2-3-20-8-10-22(24)11-9-20/h2-11,13,15,18,23H,12,14,16-17H2,1H3
InChIKeyYFQTVFQDTWFWFG-UHFFFAOYSA-N
XLogP5.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole
CID 54296623
1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
CID 56648448
1-[2-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole
CID 6476079
1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole
CID 54189128
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
CID 57069299
1-chloro-4-[(E)-3-(4-methylphenyl)prop-1-enyl]benzene
CID 25149973
1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole
CID 3012224
1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole
CID 54487741
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
(E)-4-[4-(imidazol-1-ylmethyl)phenyl]but-3-en-1-ol
CID 70049349
1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole
CID 21402207
1-[3-(4-tert-butylcyclohexyl)-3-[(4-chlorophenyl)methoxy]propyl]imidazole
CID 54387110

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole?
The IUPAC name of 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole (CID 54505880) is 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole.
What is the SMILES notation for 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole?
The canonical SMILES for 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole is Cc1ccc(CC(CCn2ccnc2)OCC=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole?
The InChIKey is YFQTVFQDTWFWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c1-19-4-6-21(7-5-19)17-23(12-14-26-15-13-25-18-26)27-16-2-3-20-8-10-22(24)11-9-20/h2-11,13,15,18,23H,12,14,16-17H2,1H3.
What are the key properties of 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole?
1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole has a molecular weight of 380.92 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole is sourced from PubChem (CID 54505880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).