5-phenyl-1,4-dihydroimidazole-5-carboxylic acid

C10H10N2O2 — CID 86596042

IUPAC5-phenyl-1,4-dihydroimidazole-5-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CN=CN1
InChIInChI=1S/C10H10N2O2/c13-9(14)10(6-11-7-12-10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12)(H,13,14)
InChIKeyZPNQIZYYGGTCPY-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.60
Rot. Bonds2

About 5-phenyl-1,4-dihydroimidazole-5-carboxylic acid

5-phenyl-1,4-dihydroimidazole-5-carboxylic acid (PubChem CID 86596042) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-phenyl-1,4-dihydroimidazole-5-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-1,4-dihydroimidazole-5-carboxylic acid
PubChem CID86596042
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5-phenyl-1,4-dihydroimidazole-5-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CN=CN1
InChIInChI=1S/C10H10N2O2/c13-9(14)10(6-11-7-12-10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12)(H,13,14)
InChIKeyZPNQIZYYGGTCPY-UHFFFAOYSA-N
XLogP0.60
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-pyrrolidine-2-carboxylic acid
CID 3157294
(2R)-2-phenylpyrrolidine-2-carboxylic acid
CID 908579
alpha-Phenyl-d-proline
CID 908580
2-trifluoromethyl-4-phenyl-1H-imidazol-4-ylcarboxylic acid
CID 69800964
4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 122634379
methyl (4R,5S)-4,5-dimethyl-4-(4-methylphenyl)-1H-imidazole-5-carboxylate
CID 101794074
2-[2-(Dimethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid
CID 54895036
2-[2-(Diethylamino)ethylamino]-2-(4-fluorophenyl)butanoic acid
CID 60992944
2-[2-(Diethylamino)ethylamino]-2-(2-fluorophenyl)propanoic acid
CID 60992949
2-[2-(Diethylamino)ethylamino]-2-(3,4-difluorophenyl)propanoic acid
CID 60993220
2-[2-(Diethylamino)ethylamino]-2-(2,4-difluorophenyl)propanoic acid
CID 60993361
2-[2-(Diethylamino)ethylamino]-2-(3-fluorophenyl)propanoic acid
CID 60993363

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,4-dihydroimidazole-5-carboxylic acid?
The IUPAC name of 5-phenyl-1,4-dihydroimidazole-5-carboxylic acid (CID 86596042) is 5-phenyl-1,4-dihydroimidazole-5-carboxylic acid.
What is the SMILES notation for 5-phenyl-1,4-dihydroimidazole-5-carboxylic acid?
The canonical SMILES for 5-phenyl-1,4-dihydroimidazole-5-carboxylic acid is O=C(O)C1(c2ccccc2)CN=CN1.
What is the InChIKey of 5-phenyl-1,4-dihydroimidazole-5-carboxylic acid?
The InChIKey is ZPNQIZYYGGTCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-9(14)10(6-11-7-12-10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12)(H,13,14).
What are the key properties of 5-phenyl-1,4-dihydroimidazole-5-carboxylic acid?
5-phenyl-1,4-dihydroimidazole-5-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,4-dihydroimidazole-5-carboxylic acid is sourced from PubChem (CID 86596042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).