[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate

C14H16N2O2 — CID 11276603

IUPAC[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate
SMILESCC(=O)OCc1cncn1Cc1ccc(C)cc1
InChIInChI=1S/C14H16N2O2/c1-11-3-5-13(6-4-11)8-16-10-15-7-14(16)9-18-12(2)17/h3-7,10H,8-9H2,1-2H3
InChIKeyOYJLORWSEVMAKX-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.30
Rot. Bonds4

About [3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate

[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate (PubChem CID 11276603) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is [3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate
PubChem CID11276603
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate
SMILESCC(=O)OCc1cncn1Cc1ccc(C)cc1
InChIInChI=1S/C14H16N2O2/c1-11-3-5-13(6-4-11)8-16-10-15-7-14(16)9-18-12(2)17/h3-7,10H,8-9H2,1-2H3
InChIKeyOYJLORWSEVMAKX-UHFFFAOYSA-N
XLogP2.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate?
The IUPAC name of [3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate (CID 11276603) is [3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate.
What is the SMILES notation for [3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate?
The canonical SMILES for [3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate is CC(=O)OCc1cncn1Cc1ccc(C)cc1.
What is the InChIKey of [3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate?
The InChIKey is OYJLORWSEVMAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11-3-5-13(6-4-11)8-16-10-15-7-14(16)9-18-12(2)17/h3-7,10H,8-9H2,1-2H3.
What are the key properties of [3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate?
[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate has a molecular weight of 244.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl acetate is sourced from PubChem (CID 11276603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).