5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole

C46H47ClF4N8O — CID 158491627

IUPAC5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
SMILESCOc1cccc(CCc2cnc[nH]2)c1.Clc1cccc(CCc2cnc[nH]2)c1.FC(F)(F)c1cccc(CCc2cnc[nH]2)c1.Fc1cccc(CCc2cnc[nH]2)c1
InChIInChI=1S/C12H11F3N2.C12H14N2O.C11H11ClN2.C11H11FN2/c13-12(14,15)10-3-1-2-9(6-10)4-5-11-7-16-8-17-11;1-15-12-4-2-3-10(7-12)5-6-11-8-13-9-14-11;2*12-10-3-1-2-9(6-10)4-5-11-7-13-8-14-11/h1-3,6-8H,4-5H2,(H,16,17);2-4,7-9H,5-6H2,1H3,(H,13,14);2*1-3,6-8H,4-5H2,(H,13,14)
InChIKeyHITNWIIWZJPPFB-UHFFFAOYSA-N
MW839.38 g/mol
LogP10.60
Rot. Bonds13

About 5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole

5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole (PubChem CID 158491627) has the molecular formula C46H47ClF4N8O and a molecular weight of 839.38 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
PubChem CID158491627
Molecular FormulaC46H47ClF4N8O
Molecular Weight839.38 g/mol
Exact Mass838.35
IUPAC Name5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole
SMILESCOc1cccc(CCc2cnc[nH]2)c1.Clc1cccc(CCc2cnc[nH]2)c1.FC(F)(F)c1cccc(CCc2cnc[nH]2)c1.Fc1cccc(CCc2cnc[nH]2)c1
InChIInChI=1S/C12H11F3N2.C12H14N2O.C11H11ClN2.C11H11FN2/c13-12(14,15)10-3-1-2-9(6-10)4-5-11-7-16-8-17-11;1-15-12-4-2-3-10(7-12)5-6-11-8-13-9-14-11;2*12-10-3-1-2-9(6-10)4-5-11-7-13-8-14-11/h1-3,6-8H,4-5H2,(H,16,17);2-4,7-9H,5-6H2,1H3,(H,13,14);2*1-3,6-8H,4-5H2,(H,13,14)
InChIKeyHITNWIIWZJPPFB-UHFFFAOYSA-N
XLogP10.60
TPSA123.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.38
LogP ≤ 510.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole with MolForge

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Related Compounds

5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole
CID 10658713
5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 91318795
CID 159037299
CID 159037299
1-[[(S)-(3-methoxyphenyl)methylsulfinyl]methyl]-3-(trifluoromethyl)benzene
CID 94812111
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide
CID 138032265
2-(3-fluorophenyl)-2-[(3-methoxyphenyl)methyl]propane-1,3-diol
CID 79445073
ethoxy-dimethoxy-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90171970
1-[2-(3-chlorophenyl)ethyl]-2-[(3-methoxyphenyl)methyl]hydrazine
CID 57196897
1-chloro-3-[2-[4-(4-methoxyphenyl)phenyl]ethyl]benzene
CID 173351843
3-[[2-(3-methoxyphenyl)acetyl]amino]-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 67361234

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole?
The IUPAC name of 5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole (CID 158491627) is 5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole.
What is the SMILES notation for 5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole?
The canonical SMILES for 5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole is COc1cccc(CCc2cnc[nH]2)c1.Clc1cccc(CCc2cnc[nH]2)c1.FC(F)(F)c1cccc(CCc2cnc[nH]2)c1.Fc1cccc(CCc2cnc[nH]2)c1.
What is the InChIKey of 5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole?
The InChIKey is HITNWIIWZJPPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2.C12H14N2O.C11H11ClN2.C11H11FN2/c13-12(14,15)10-3-1-2-9(6-10)4-5-11-7-16-8-17-11;1-15-12-4-2-3-10(7-12)5-6-11-8-13-9-14-11;2*12-10-3-1-2-9(6-10)4-5-11-7-13-8-14-11/h1-3,6-8H,4-5H2,(H,16,17);2-4,7-9H,5-6H2,1H3,(H,13,14);2*1-3,6-8H,4-5H2,(H,13,14).
What are the key properties of 5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole?
5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole has a molecular weight of 839.38 g/mol, XLogP of 10.60, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)ethyl]-1H-imidazole;5-[2-(3-fluorophenyl)ethyl]-1H-imidazole;5-[2-(3-methoxyphenyl)ethyl]-1H-imidazole;5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-imidazole is sourced from PubChem (CID 158491627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).