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

C10H8N2O2 — CID 604737

IUPAC4-phenyl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1ccccc1
InChIInChI=1S/C10H8N2O2/c13-10(14)9-8(11-6-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChIKeyCGGYEKVCCJJXQZ-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.77
Rot. Bonds2

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

4-phenyl-1H-imidazole-5-carboxylic acid (PubChem CID 604737) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-phenyl-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1H-imidazole-5-carboxylic acid
PubChem CID604737
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-phenyl-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1-c1ccccc1
InChIInChI=1S/C10H8N2O2/c13-10(14)9-8(11-6-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChIKeyCGGYEKVCCJJXQZ-UHFFFAOYSA-N
XLogP1.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-phenyl-1H-imidazole-5-carboxylic acid (CID 604737) is 4-phenyl-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-phenyl-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-phenyl-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]cnc1-c1ccccc1.
What is the InChIKey of 4-phenyl-1H-imidazole-5-carboxylic acid?
The InChIKey is CGGYEKVCCJJXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)9-8(11-6-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14).
What are the key properties of 4-phenyl-1H-imidazole-5-carboxylic acid?
4-phenyl-1H-imidazole-5-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 604737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).