ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate

C19H18ClFN2O2 — CID 143106635

IUPACethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)C1CN(c2ccc(Cl)cc2)C(Cc2ccc(F)cc2)=N1
InChIInChI=1S/C19H18ClFN2O2/c1-2-25-19(24)17-12-23(16-9-5-14(20)6-10-16)18(22-17)11-13-3-7-15(21)8-4-13/h3-10,17H,2,11-12H2,1H3
InChIKeyXOVRTRSJAOTQRL-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.87
Rot. Bonds5

About ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate

ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate (PubChem CID 143106635) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate
PubChem CID143106635
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Nameethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)C1CN(c2ccc(Cl)cc2)C(Cc2ccc(F)cc2)=N1
InChIInChI=1S/C19H18ClFN2O2/c1-2-25-19(24)17-12-23(16-9-5-14(20)6-10-16)18(22-17)11-13-3-7-15(21)8-4-13/h3-10,17H,2,11-12H2,1H3
InChIKeyXOVRTRSJAOTQRL-UHFFFAOYSA-N
XLogP3.87
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-fluorophenyl)-3-methyl-1,5-dihydro-1,2,4-triazole-5-carboxylate
CID 134391073
ethyl (3S)-1-[2-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carbonyl]piperidine-3-carboxylate
CID 93158941
ethyl 4-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 7563752
ethyl 1-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxylate
CID 2764580
ethyl (3R)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075857
ethyl 2-(4-chlorophenyl)-3,4-dihydropyrazole-3-carboxylate
CID 70901273
ethyl 5-[(4-chlorophenyl)methyl]-1H-pyrazole-4-carboxylate
CID 75360673
1-[(4-chlorophenyl)methyl]-3-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215724
ethyl 2-(2,6-difluorophenyl)-5-hydroxypyrazolidine-3-carboxylate
CID 164522517
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
ethyl 1-[(4-fluorophenyl)methyl]tetrazole-5-carboxylate
CID 79318481
ethyl 4-(4-fluorophenyl)-1-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 3732923

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate (CID 143106635) is ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate is CCOC(=O)C1CN(c2ccc(Cl)cc2)C(Cc2ccc(F)cc2)=N1.
What is the InChIKey of ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate?
The InChIKey is XOVRTRSJAOTQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-2-25-19(24)17-12-23(16-9-5-14(20)6-10-16)18(22-17)11-13-3-7-15(21)8-4-13/h3-10,17H,2,11-12H2,1H3.
What are the key properties of ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate?
ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate has a molecular weight of 360.82 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-4,5-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 143106635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).