(1-methylimidazol-2-yl)methyl 2-ethylbenzoate

C14H16N2O2 — CID 75515502

IUPAC(1-methylimidazol-2-yl)methyl 2-ethylbenzoate
SMILESCCc1ccccc1C(=O)OCc1nccn1C
InChIInChI=1S/C14H16N2O2/c1-3-11-6-4-5-7-12(11)14(17)18-10-13-15-8-9-16(13)2/h4-9H,3,10H2,1-2H3
InChIKeyHLRCEWIZIRPMDP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.34
Rot. Bonds4

About (1-methylimidazol-2-yl)methyl 2-ethylbenzoate

(1-methylimidazol-2-yl)methyl 2-ethylbenzoate (PubChem CID 75515502) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)methyl 2-ethylbenzoate.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)methyl 2-ethylbenzoate
PubChem CID75515502
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(1-methylimidazol-2-yl)methyl 2-ethylbenzoate
SMILESCCc1ccccc1C(=O)OCc1nccn1C
InChIInChI=1S/C14H16N2O2/c1-3-11-6-4-5-7-12(11)14(17)18-10-13-15-8-9-16(13)2/h4-9H,3,10H2,1-2H3
InChIKeyHLRCEWIZIRPMDP-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)methyl 2-ethylbenzoate?
The IUPAC name of (1-methylimidazol-2-yl)methyl 2-ethylbenzoate (CID 75515502) is (1-methylimidazol-2-yl)methyl 2-ethylbenzoate.
What is the SMILES notation for (1-methylimidazol-2-yl)methyl 2-ethylbenzoate?
The canonical SMILES for (1-methylimidazol-2-yl)methyl 2-ethylbenzoate is CCc1ccccc1C(=O)OCc1nccn1C.
What is the InChIKey of (1-methylimidazol-2-yl)methyl 2-ethylbenzoate?
The InChIKey is HLRCEWIZIRPMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-11-6-4-5-7-12(11)14(17)18-10-13-15-8-9-16(13)2/h4-9H,3,10H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)methyl 2-ethylbenzoate?
(1-methylimidazol-2-yl)methyl 2-ethylbenzoate has a molecular weight of 244.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)methyl 2-ethylbenzoate is sourced from PubChem (CID 75515502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).