[4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide

C10H7ClN4O — CID 156598366

IUPAC[4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide
SMILESN#CNC1=NC(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C10H7ClN4O/c11-7-3-1-6(2-4-7)8-9(16)15-10(14-8)13-5-12/h1-4,8H,(H2,13,14,15,16)
InChIKeyJGQNALLKHYMAGA-UHFFFAOYSA-N
MW234.65 g/mol
LogP0.94
Rot. Bonds1

About [4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide

[4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide (PubChem CID 156598366) has the molecular formula C10H7ClN4O and a molecular weight of 234.65 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide
PubChem CID156598366
Molecular FormulaC10H7ClN4O
Molecular Weight234.65 g/mol
Exact Mass234.03
IUPAC Name[4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide
SMILESN#CNC1=NC(c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C10H7ClN4O/c11-7-3-1-6(2-4-7)8-9(16)15-10(14-8)13-5-12/h1-4,8H,(H2,13,14,15,16)
InChIKeyJGQNALLKHYMAGA-UHFFFAOYSA-N
XLogP0.94
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide?
The IUPAC name of [4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide (CID 156598366) is [4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide.
What is the SMILES notation for [4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide?
The canonical SMILES for [4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide is N#CNC1=NC(c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of [4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide?
The InChIKey is JGQNALLKHYMAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O/c11-7-3-1-6(2-4-7)8-9(16)15-10(14-8)13-5-12/h1-4,8H,(H2,13,14,15,16).
What are the key properties of [4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide?
[4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide has a molecular weight of 234.65 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-5-oxo-1,4-dihydroimidazol-2-yl]cyanamide is sourced from PubChem (CID 156598366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).