2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid

C10H7ClN2O2 — CID 10513265

IUPAC2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)9-12-5-8(13-9)10(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeyCWVVTDSOZJIEGN-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.43
Rot. Bonds2

About 2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid

2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 10513265) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid
PubChem CID10513265
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)9-12-5-8(13-9)10(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeyCWVVTDSOZJIEGN-UHFFFAOYSA-N
XLogP2.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid (CID 10513265) is 2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is CWVVTDSOZJIEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)9-12-5-8(13-9)10(14)15/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid?
2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 222.63 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 10513265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).