4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide

C16H12ClN3O — CID 127027295

IUPAC4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2cn(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C16H12ClN3O/c17-13-5-7-14(8-6-13)20-9-15(19-10-20)11-1-3-12(4-2-11)16(18)21/h1-10H,(H2,18,21)
InChIKeyLFBRWVHJXOFBGH-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.29
Rot. Bonds3

About 4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide

4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide (PubChem CID 127027295) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide
PubChem CID127027295
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide
SMILESNC(=O)c1ccc(-c2cn(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C16H12ClN3O/c17-13-5-7-14(8-6-13)20-9-15(19-10-20)11-1-3-12(4-2-11)16(18)21/h1-10H,(H2,18,21)
InChIKeyLFBRWVHJXOFBGH-UHFFFAOYSA-N
XLogP3.29
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide?
The IUPAC name of 4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide (CID 127027295) is 4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide is NC(=O)c1ccc(-c2cn(-c3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide?
The InChIKey is LFBRWVHJXOFBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-5-7-14(8-6-13)20-9-15(19-10-20)11-1-3-12(4-2-11)16(18)21/h1-10H,(H2,18,21).
What are the key properties of 4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide?
4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide has a molecular weight of 297.75 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 127027295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).