1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole

C21H20ClFN2O — CID 54296623

IUPAC1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole
SMILESFc1ccc(C(CCn2ccnc2)OCC=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClFN2O/c22-19-7-3-17(4-8-19)2-1-15-26-21(11-13-25-14-12-24-16-25)18-5-9-20(23)10-6-18/h1-10,12,14,16,21H,11,13,15H2
InChIKeySBFKUDYYNMQDQP-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.54
Rot. Bonds8

About 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole

1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole (PubChem CID 54296623) has the molecular formula C21H20ClFN2O and a molecular weight of 370.86 g/mol. Its IUPAC name is 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole
PubChem CID54296623
Molecular FormulaC21H20ClFN2O
Molecular Weight370.86 g/mol
Exact Mass370.12
IUPAC Name1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole
SMILESFc1ccc(C(CCn2ccnc2)OCC=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClFN2O/c22-19-7-3-17(4-8-19)2-1-15-26-21(11-13-25-14-12-24-16-25)18-5-9-20(23)10-6-18/h1-10,12,14,16,21H,11,13,15H2
InChIKeySBFKUDYYNMQDQP-UHFFFAOYSA-N
XLogP5.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole
CID 54505880
1-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole
CID 3012224
1-[4-(4-chlorophenyl)-2-undecoxybut-3-enyl]imidazole
CID 54487741
1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
CID 3012220
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
3-[4-[1-[(4-chlorophenyl)sulfonylamino]-5-imidazol-1-ylpentan-2-yl]phenyl]prop-2-enoic acid
CID 139688595
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[4-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylbut-3-enyl]imidazole
CID 70630028

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole?
The IUPAC name of 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole (CID 54296623) is 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole.
What is the SMILES notation for 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole?
The canonical SMILES for 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole is Fc1ccc(C(CCn2ccnc2)OCC=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole?
The InChIKey is SBFKUDYYNMQDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O/c22-19-7-3-17(4-8-19)2-1-15-26-21(11-13-25-14-12-24-16-25)18-5-9-20(23)10-6-18/h1-10,12,14,16,21H,11,13,15H2.
What are the key properties of 1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole?
1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole has a molecular weight of 370.86 g/mol, XLogP of 5.54, 8 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]-3-(4-fluorophenyl)propyl]imidazole is sourced from PubChem (CID 54296623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).