2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate

C14H16N2O3 — CID 175561415

IUPAC2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate
SMILESO=C(OCCO)c1cncn1CCc1ccccc1
InChIInChI=1S/C14H16N2O3/c17-8-9-19-14(18)13-10-15-11-16(13)7-6-12-4-2-1-3-5-12/h1-5,10-11,17H,6-9H2
InChIKeyDSLQARDQBCMXNJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.27
Rot. Bonds6

About 2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate

2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate (PubChem CID 175561415) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate
PubChem CID175561415
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate
SMILESO=C(OCCO)c1cncn1CCc1ccccc1
InChIInChI=1S/C14H16N2O3/c17-8-9-19-14(18)13-10-15-11-16(13)7-6-12-4-2-1-3-5-12/h1-5,10-11,17H,6-9H2
InChIKeyDSLQARDQBCMXNJ-UHFFFAOYSA-N
XLogP1.27
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate?
The IUPAC name of 2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate (CID 175561415) is 2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate?
The canonical SMILES for 2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate is O=C(OCCO)c1cncn1CCc1ccccc1.
What is the InChIKey of 2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate?
The InChIKey is DSLQARDQBCMXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-8-9-19-14(18)13-10-15-11-16(13)7-6-12-4-2-1-3-5-12/h1-5,10-11,17H,6-9H2.
What are the key properties of 2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate?
2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-(2-phenylethyl)imidazole-4-carboxylate is sourced from PubChem (CID 175561415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).