ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate

C25H30N2O2 — CID 25190468

IUPACethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1c(CC)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H30N2O2/c1-3-22-26-24(20-14-8-5-9-15-20)25(21-16-10-6-11-17-21)27(22)19-13-7-12-18-23(28)29-4-2/h5-6,8-11,14-17H,3-4,7,12-13,18-19H2,1-2H3
InChIKeyRNFWCKGWEMYILB-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.90
Rot. Bonds10

About ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate

ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate (PubChem CID 25190468) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate
PubChem CID25190468
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Nameethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1c(CC)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H30N2O2/c1-3-22-26-24(20-14-8-5-9-15-20)25(21-16-10-6-11-17-21)27(22)19-13-7-12-18-23(28)29-4-2/h5-6,8-11,14-17H,3-4,7,12-13,18-19H2,1-2H3
InChIKeyRNFWCKGWEMYILB-UHFFFAOYSA-N
XLogP5.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Octimibate
CID 65676
(3R,5R,6E)-7-[4,5-bis(4-fluorophenyl)-2-(propan-2-yl)-1H-imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
CID 14849849
ethyl 7-(2-ethyl-4,5-diphenyl-1H-imidazol-1-yl)heptanoate
CID 25190469
ethyl 7-[4,5-bis(4-fluorophenyl)-2-methyl-1H-imidazol-1-yl]heptanoate
CID 25190480
7-[4,5-Bis-(4-fluoro-phenyl)-2-isopropyl-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoic acid
CID 14849847
N,N-dimethyl-7-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)heptanamide
CID 25190475
PMID8246233C5ab
CID 44347339
(E)-(3R,5S)-7-[2,4-Bis-(4-fluoro-phenyl)-5-isopropyl-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoic acid anion
CID 44392511
ethyl 8-(2-ethyl-4,5-diphenyl-1H-imidazol-1-yl)octanoate
CID 25190470
ethyl 2-methyl-7-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)heptanoate
CID 25190471
sodium (E,3R,5S)-7-[2,4-bis(4-fluorophenyl)-5-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoate
CID 44347338
3,5-Dihydroxy-7-(4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-imidazol-1-yl)-6-heptenoic acid
CID 6439471

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate?
The IUPAC name of ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate (CID 25190468) is ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate.
What is the SMILES notation for ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate?
The canonical SMILES for ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate is CCOC(=O)CCCCCn1c(CC)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate?
The InChIKey is RNFWCKGWEMYILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-3-22-26-24(20-14-8-5-9-15-20)25(21-16-10-6-11-17-21)27(22)19-13-7-12-18-23(28)29-4-2/h5-6,8-11,14-17H,3-4,7,12-13,18-19H2,1-2H3.
What are the key properties of ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate?
ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate has a molecular weight of 390.53 g/mol, XLogP of 5.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-ethyl-4,5-diphenylimidazol-1-yl)hexanoate is sourced from PubChem (CID 25190468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).