5-(4-chlorophenyl)-1H-imidazole-2-carboxamide

C10H8ClN3O — CID 116883933

IUPAC5-(4-chlorophenyl)-1H-imidazole-2-carboxamide
SMILESNC(=O)c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C10H8ClN3O/c11-7-3-1-6(2-4-7)8-5-13-10(14-8)9(12)15/h1-5H,(H2,12,15)(H,13,14)
InChIKeyWHEZFEFXPILWFO-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.83
Rot. Bonds2

About 5-(4-chlorophenyl)-1H-imidazole-2-carboxamide

5-(4-chlorophenyl)-1H-imidazole-2-carboxamide (PubChem CID 116883933) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1H-imidazole-2-carboxamide
PubChem CID116883933
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name5-(4-chlorophenyl)-1H-imidazole-2-carboxamide
SMILESNC(=O)c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C10H8ClN3O/c11-7-3-1-6(2-4-7)8-5-13-10(14-8)9(12)15/h1-5H,(H2,12,15)(H,13,14)
InChIKeyWHEZFEFXPILWFO-UHFFFAOYSA-N
XLogP1.83
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1H-imidazole-2-carboxamide (CID 116883933) is 5-(4-chlorophenyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1H-imidazole-2-carboxamide is NC(=O)c1ncc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 5-(4-chlorophenyl)-1H-imidazole-2-carboxamide?
The InChIKey is WHEZFEFXPILWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-7-3-1-6(2-4-7)8-5-13-10(14-8)9(12)15/h1-5H,(H2,12,15)(H,13,14).
What are the key properties of 5-(4-chlorophenyl)-1H-imidazole-2-carboxamide?
5-(4-chlorophenyl)-1H-imidazole-2-carboxamide has a molecular weight of 221.65 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 116883933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).