[2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate

C30H24N2O2 — CID 127030435

IUPAC[2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate
SMILESO=C(OC(Cn1ccnc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H24N2O2/c33-30(28-17-13-26(14-18-28)24-9-5-2-6-10-24)34-29(21-32-20-19-31-22-32)27-15-11-25(12-16-27)23-7-3-1-4-8-23/h1-20,22,29H,21H2
InChIKeyLXUBFWPSTMKNAD-UHFFFAOYSA-N
MW444.53 g/mol
LogP6.82
Rot. Bonds7

About [2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate

[2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate (PubChem CID 127030435) has the molecular formula C30H24N2O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is [2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate
PubChem CID127030435
Molecular FormulaC30H24N2O2
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC Name[2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate
SMILESO=C(OC(Cn1ccnc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H24N2O2/c33-30(28-17-13-26(14-18-28)24-9-5-2-6-10-24)34-29(21-32-20-19-31-22-32)27-15-11-25(12-16-27)23-7-3-1-4-8-23/h1-20,22,29H,21H2
InChIKeyLXUBFWPSTMKNAD-UHFFFAOYSA-N
XLogP6.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-((2-(1-benzoyl-4-phenylpiperidin-4-yl)-1H-imidazol-1-yl)methyl)benzoate
CID 10227615
ethyl 4-(1-(4-(methoxycarbonyl)benzyl)-1H-imidazol-2-yl)-4-phenylpiperidine-1-carboxylate
CID 10297473
Methyl 3-[[[4-cyano-3-(2-methylphenyl)phenyl]-(3-methylimidazol-4-yl)methoxy]methyl]benzoate
CID 44391744
Methyl 4-[[[4-cyano-3-(2-methylphenyl)phenyl]-(3-methylimidazol-4-yl)methoxy]methyl]benzoate
CID 44391759
methyl 4-((2-(1-(2-methoxyacetyl)-4-phenylpiperidin-4-yl)-1H-imidazol-1-yl)methyl)benzoate
CID 11339827
(4-benzoylphenyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 11842989
ethyl 4-[2-(4-ethyloxycarbonylbenzyloxy)-1-(1H-1-imidazolylmethyl)ethoxymethyl]benzoate
CID 13904995
(2-Imidazol-1-yl-1-phenyl-ethyl) 4-phenylbenzoate
CID 57379485
[1-(4-Fluorophenyl)-2-imidazol-1-yl-ethyl] 4-phenylbenzoate
CID 57379486
[1-(4-Chlorophenyl)-2-imidazol-1-yl-ethyl] 4-phenylbenzoate
CID 57379487
[(1S)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate
CID 71816534
[(1R)-2-imidazol-1-yl-1-phenylethyl] 4-phenylbenzoate
CID 73353438

Frequently Asked Questions

What is the IUPAC name of [2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate?
The IUPAC name of [2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate (CID 127030435) is [2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate.
What is the SMILES notation for [2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate?
The canonical SMILES for [2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate is O=C(OC(Cn1ccnc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate?
The InChIKey is LXUBFWPSTMKNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O2/c33-30(28-17-13-26(14-18-28)24-9-5-2-6-10-24)34-29(21-32-20-19-31-22-32)27-15-11-25(12-16-27)23-7-3-1-4-8-23/h1-20,22,29H,21H2.
What are the key properties of [2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate?
[2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate has a molecular weight of 444.53 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-imidazol-1-yl-1-(4-phenylphenyl)ethyl] 4-phenylbenzoate is sourced from PubChem (CID 127030435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).