ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate

C29H30N2O2 — CID 44589102

IUPACethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate
SMILESCCOC(=O)CCCc1ccc(-n2c(CC)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H30N2O2/c1-3-26-30-28(23-13-7-5-8-14-23)29(24-15-9-6-10-16-24)31(26)25-20-18-22(19-21-25)12-11-17-27(32)33-4-2/h5-10,13-16,18-21H,3-4,11-12,17H2,1-2H3
InChIKeyUCOLADYLQKIIGE-UHFFFAOYSA-N
MW438.57 g/mol
LogP6.65
Rot. Bonds9

About ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate

ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate (PubChem CID 44589102) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate
PubChem CID44589102
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC Nameethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate
SMILESCCOC(=O)CCCc1ccc(-n2c(CC)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H30N2O2/c1-3-26-30-28(23-13-7-5-8-14-23)29(24-15-9-6-10-16-24)31(26)25-20-18-22(19-21-25)12-11-17-27(32)33-4-2/h5-10,13-16,18-21H,3-4,11-12,17H2,1-2H3
InChIKeyUCOLADYLQKIIGE-UHFFFAOYSA-N
XLogP6.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate with MolForge

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Related Compounds

Octimibate
CID 65676
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
ethyl 6-(2-ethyl-4,5-diphenyl-1H-imidazol-1-yl)hexanoate
CID 25190468
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
ethyl 2-ethyl-7-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)heptanoate
CID 25190472
[(E)-3-[4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenyl]prop-2-enyl] pentanoate
CID 44321494
methyl 3-[4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenyl]propanoate
CID 44321508
methyl 2-[4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenyl]cyclopropane-1-carboxylate
CID 44321565
Methyl 8-(2-ethyl-4,5-diphenylimidazol-1-yl)octanoate
CID 44431635
Ethyl 3-methyl-8-(2-methyl-4,5-diphenylimidazol-1-yl)octanoate
CID 44431636

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate?
The IUPAC name of ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate (CID 44589102) is ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate.
What is the SMILES notation for ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate?
The canonical SMILES for ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate is CCOC(=O)CCCc1ccc(-n2c(CC)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate?
The InChIKey is UCOLADYLQKIIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O2/c1-3-26-30-28(23-13-7-5-8-14-23)29(24-15-9-6-10-16-24)31(26)25-20-18-22(19-21-25)12-11-17-27(32)33-4-2/h5-10,13-16,18-21H,3-4,11-12,17H2,1-2H3.
What are the key properties of ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate?
ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate has a molecular weight of 438.57 g/mol, XLogP of 6.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-ethyl-4,5-diphenylimidazol-1-yl)phenyl]butanoate is sourced from PubChem (CID 44589102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).