5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid

C12H12N2O2 — CID 43445069

IUPAC5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid
SMILESCCc1[nH]c(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C12H12N2O2/c1-2-9-10(12(15)16)14-11(13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyYCDMTIOUKDGVLV-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.34
Rot. Bonds3

About 5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid

5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid (PubChem CID 43445069) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid
PubChem CID43445069
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid
SMILESCCc1[nH]c(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C12H12N2O2/c1-2-9-10(12(15)16)14-11(13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyYCDMTIOUKDGVLV-UHFFFAOYSA-N
XLogP2.34
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid (CID 43445069) is 5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid is CCc1[nH]c(-c2ccccc2)nc1C(=O)O.
What is the InChIKey of 5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid?
The InChIKey is YCDMTIOUKDGVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-9-10(12(15)16)14-11(13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid?
5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-phenyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 43445069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).