2-phenyl-1H-imidazole-5-carboxylic acid;hydrate

C10H10N2O3 — CID 2738138

IUPAC2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
SMILESO.O=C(O)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H8N2O2.H2O/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7;/h1-6H,(H,11,12)(H,13,14);1H2
InChIKeyYIVKWERKOGOQBV-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.95
Rot. Bonds2

About 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate

2-phenyl-1H-imidazole-5-carboxylic acid;hydrate (PubChem CID 2738138) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate.

Molecular Properties

Compound Name2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
PubChem CID2738138
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
SMILESO.O=C(O)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H8N2O2.H2O/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7;/h1-6H,(H,11,12)(H,13,14);1H2
InChIKeyYIVKWERKOGOQBV-UHFFFAOYSA-N
XLogP0.95
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate?
The IUPAC name of 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate (CID 2738138) is 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate.
What is the SMILES notation for 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate?
The canonical SMILES for 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate is O.O=C(O)c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate?
The InChIKey is YIVKWERKOGOQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.H2O/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7;/h1-6H,(H,11,12)(H,13,14);1H2.
What are the key properties of 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate?
2-phenyl-1H-imidazole-5-carboxylic acid;hydrate has a molecular weight of 206.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-imidazole-5-carboxylic acid;hydrate is sourced from PubChem (CID 2738138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).