[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone

C18H16N2O2 — CID 10756060

IUPAC[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C18H16N2O2/c21-18(14-4-2-1-3-5-14)15-6-8-17(9-7-15)22-11-10-16-12-19-13-20-16/h1-9,12-13H,10-11H2,(H,19,20)
InChIKeyAERFRISBAZTIHN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.26
Rot. Bonds6

About [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone

[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone (PubChem CID 10756060) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone
PubChem CID10756060
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C18H16N2O2/c21-18(14-4-2-1-3-5-14)15-6-8-17(9-7-15)22-11-10-16-12-19-13-20-16/h1-9,12-13H,10-11H2,(H,19,20)
InChIKeyAERFRISBAZTIHN-UHFFFAOYSA-N
XLogP3.26
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone (CID 10756060) is [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(OCCc2cnc[nH]2)cc1.
What is the InChIKey of [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone?
The InChIKey is AERFRISBAZTIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18(14-4-2-1-3-5-14)15-6-8-17(9-7-15)22-11-10-16-12-19-13-20-16/h1-9,12-13H,10-11H2,(H,19,20).
What are the key properties of [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone?
[4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone has a molecular weight of 292.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1H-imidazol-5-yl)ethoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 10756060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).