1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole

C19H18ClFN2O — CID 70502718

IUPAC1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole
SMILESCCOc1ccc(C(F)(Cn2ccnc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClFN2O/c1-2-24-18-9-5-16(6-10-18)19(21,13-23-12-11-22-14-23)15-3-7-17(20)8-4-15/h3-12,14H,2,13H2,1H3
InChIKeyLOWIOKCKLAVKJA-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.85
Rot. Bonds6

About 1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole

1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole (PubChem CID 70502718) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole
PubChem CID70502718
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC Name1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole
SMILESCCOc1ccc(C(F)(Cn2ccnc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClFN2O/c1-2-24-18-9-5-16(6-10-18)19(21,13-23-12-11-22-14-23)15-3-7-17(20)8-4-15/h3-12,14H,2,13H2,1H3
InChIKeyLOWIOKCKLAVKJA-UHFFFAOYSA-N
XLogP4.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
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2-(4-chlorophenoxy)-3-(ethylamino)-1-imidazol-1-yl-3-methylbutan-2-ol
CID 67650371
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
1-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
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1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
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N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 18349582
3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol
CID 22762962
2-imidazol-1-yl-1-(4-methoxyphenyl)-1-(4-pyridin-4-ylphenyl)ethanol
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1-(2,2,2-trifluoroethyl)imidazole
CID 13288518
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole (CID 70502718) is 1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole is CCOc1ccc(C(F)(Cn2ccnc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole?
The InChIKey is LOWIOKCKLAVKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c1-2-24-18-9-5-16(6-10-18)19(21,13-23-12-11-22-14-23)15-3-7-17(20)8-4-15/h3-12,14H,2,13H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole?
1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole has a molecular weight of 344.82 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-(4-ethoxyphenyl)-2-fluoroethyl]imidazole is sourced from PubChem (CID 70502718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).