[5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate

C24H26ClF3N2O4 — CID 161111659

IUPAC[5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate
SMILESCCOc1cc(OC)ccc1C1=NC(CC(C)C)C(c2ccc(Cl)cc2)N1OC(=O)C(F)(F)F
InChIInChI=1S/C24H26ClF3N2O4/c1-5-33-20-13-17(32-4)10-11-18(20)22-29-19(12-14(2)3)21(15-6-8-16(25)9-7-15)30(22)34-23(31)24(26,27)28/h6-11,13-14,19,21H,5,12H2,1-4H3
InChIKeyYIYPCSUNHCLBQC-UHFFFAOYSA-N
MW498.93 g/mol
LogP5.99
Rot. Bonds8

About [5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate

[5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate (PubChem CID 161111659) has the molecular formula C24H26ClF3N2O4 and a molecular weight of 498.93 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate
PubChem CID161111659
Molecular FormulaC24H26ClF3N2O4
Molecular Weight498.93 g/mol
Exact Mass498.15
IUPAC Name[5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate
SMILESCCOc1cc(OC)ccc1C1=NC(CC(C)C)C(c2ccc(Cl)cc2)N1OC(=O)C(F)(F)F
InChIInChI=1S/C24H26ClF3N2O4/c1-5-33-20-13-17(32-4)10-11-18(20)22-29-19(12-14(2)3)21(15-6-8-16(25)9-7-15)30(22)34-23(31)24(26,27)28/h6-11,13-14,19,21H,5,12H2,1-4H3
InChIKeyYIYPCSUNHCLBQC-UHFFFAOYSA-N
XLogP5.99
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.93
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(4R,5S)-5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 162339207
[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride
CID 22721203
1-[4-[(4R,5S)-5-(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4-propyl-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanone
CID 58735103
[5-(4-bromophenyl)-4-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 161156151
[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2,4-diethoxyphenyl)-4,5-dihydroimidazol-1-yl]-morpholin-4-ylmethanone
CID 10218494
2-[4-[4,5-bis(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazole-1-carbonyl]piperazin-2-yl]acetaldehyde
CID 22721059
[(4R,5S)-5-(4-chlorophenyl)-4-cyclohexyl-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride
CID 162337516
4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-1-carboxylic acid;2-(methylamino)acetonitrile
CID 162622074
2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbaldehyde
CID 174981629
[4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
CID 22721018
[4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-1-yl]-[4-(bromomethyl)piperidin-1-yl]methanone
CID 86595530
4-[(4S,5R)-5-(4-chlorophenyl)-4-(3-ethoxyphenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CID 122606273

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate (CID 161111659) is [5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate is CCOc1cc(OC)ccc1C1=NC(CC(C)C)C(c2ccc(Cl)cc2)N1OC(=O)C(F)(F)F.
What is the InChIKey of [5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is YIYPCSUNHCLBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N2O4/c1-5-33-20-13-17(32-4)10-11-18(20)22-29-19(12-14(2)3)21(15-6-8-16(25)9-7-15)30(22)34-23(31)24(26,27)28/h6-11,13-14,19,21H,5,12H2,1-4H3.
What are the key properties of [5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate?
[5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 498.93 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4-(2-methylpropyl)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 161111659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).