[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate

C17H14N2O2 — CID 58482968

IUPAC[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate
SMILESO=COc1ccccc1-c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H14N2O2/c20-13-21-17-4-2-1-3-16(17)15-7-5-14(6-8-15)11-19-10-9-18-12-19/h1-10,12-13H,11H2
InChIKeyJVYYZQKAPATZRU-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.13
Rot. Bonds5

About [2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate

[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate (PubChem CID 58482968) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is [2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate.

Molecular Properties

Compound Name[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate
PubChem CID58482968
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate
SMILESO=COc1ccccc1-c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H14N2O2/c20-13-21-17-4-2-1-3-16(17)15-7-5-14(6-8-15)11-19-10-9-18-12-19/h1-10,12-13H,11H2
InChIKeyJVYYZQKAPATZRU-UHFFFAOYSA-N
XLogP3.13
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate?
The IUPAC name of [2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate (CID 58482968) is [2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate.
What is the SMILES notation for [2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate?
The canonical SMILES for [2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate is O=COc1ccccc1-c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of [2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate?
The InChIKey is JVYYZQKAPATZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-13-21-17-4-2-1-3-16(17)15-7-5-14(6-8-15)11-19-10-9-18-12-19/h1-10,12-13H,11H2.
What are the key properties of [2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate?
[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate has a molecular weight of 278.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(imidazol-1-ylmethyl)phenyl]phenyl] formate is sourced from PubChem (CID 58482968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).