2-imidazol-1-ylethyl 4-phenylbenzoate

C18H16N2O2 — CID 7997127

IUPAC2-imidazol-1-ylethyl 4-phenylbenzoate
SMILESO=C(OCCn1ccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c21-18(22-13-12-20-11-10-19-14-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2
InChIKeyFOIFRODTSWWLDM-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.41
Rot. Bonds5

About 2-imidazol-1-ylethyl 4-phenylbenzoate

2-imidazol-1-ylethyl 4-phenylbenzoate (PubChem CID 7997127) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-imidazol-1-ylethyl 4-phenylbenzoate.

Molecular Properties

Compound Name2-imidazol-1-ylethyl 4-phenylbenzoate
PubChem CID7997127
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-imidazol-1-ylethyl 4-phenylbenzoate
SMILESO=C(OCCn1ccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c21-18(22-13-12-20-11-10-19-14-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2
InChIKeyFOIFRODTSWWLDM-UHFFFAOYSA-N
XLogP3.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylethyl 4-phenylbenzoate?
The IUPAC name of 2-imidazol-1-ylethyl 4-phenylbenzoate (CID 7997127) is 2-imidazol-1-ylethyl 4-phenylbenzoate.
What is the SMILES notation for 2-imidazol-1-ylethyl 4-phenylbenzoate?
The canonical SMILES for 2-imidazol-1-ylethyl 4-phenylbenzoate is O=C(OCCn1ccnc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-imidazol-1-ylethyl 4-phenylbenzoate?
The InChIKey is FOIFRODTSWWLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18(22-13-12-20-11-10-19-14-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-11,14H,12-13H2.
What are the key properties of 2-imidazol-1-ylethyl 4-phenylbenzoate?
2-imidazol-1-ylethyl 4-phenylbenzoate has a molecular weight of 292.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylethyl 4-phenylbenzoate is sourced from PubChem (CID 7997127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).