ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate

C25H20ClF3N2O3 — CID 15430933

IUPACethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
SMILESCCOC(=O)N1CC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N=C1c1ccccc1Cl
InChIInChI=1S/C25H20ClF3N2O3/c1-2-33-24(32)31-15-22(30-23(31)20-5-3-4-6-21(20)26)18-9-7-16(8-10-18)17-11-13-19(14-12-17)34-25(27,28)29/h3-14,22H,2,15H2,1H3
InChIKeyUTEZHFUYSOFRSA-UHFFFAOYSA-N
MW488.89 g/mol
LogP6.87
Rot. Bonds5

About ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate

ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate (PubChem CID 15430933) has the molecular formula C25H20ClF3N2O3 and a molecular weight of 488.89 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
PubChem CID15430933
Molecular FormulaC25H20ClF3N2O3
Molecular Weight488.89 g/mol
Exact Mass488.11
IUPAC Nameethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate
SMILESCCOC(=O)N1CC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N=C1c1ccccc1Cl
InChIInChI=1S/C25H20ClF3N2O3/c1-2-33-24(32)31-15-22(30-23(31)20-5-3-4-6-21(20)26)18-9-7-16(8-10-18)17-11-13-19(14-12-17)34-25(27,28)29/h3-14,22H,2,15H2,1H3
InChIKeyUTEZHFUYSOFRSA-UHFFFAOYSA-N
XLogP6.87
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.89
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate (CID 15430933) is ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate is CCOC(=O)N1CC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N=C1c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is UTEZHFUYSOFRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N2O3/c1-2-33-24(32)31-15-22(30-23(31)20-5-3-4-6-21(20)26)18-9-7-16(8-10-18)17-11-13-19(14-12-17)34-25(27,28)29/h3-14,22H,2,15H2,1H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate?
ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 488.89 g/mol, XLogP of 6.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 15430933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).