4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide

C11H11N5O2 — CID 564870

IUPAC4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide
SMILESNNC(=O)c1nc[nH]c1C(=O)Nc1ccccc1
InChIInChI=1S/C11H11N5O2/c12-16-11(18)9-8(13-6-14-9)10(17)15-7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)(H,15,17)(H,16,18)
InChIKeyOPVSAFKUPCRXIQ-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.27
Rot. Bonds3

About 4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide

4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide (PubChem CID 564870) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide
PubChem CID564870
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide
SMILESNNC(=O)c1nc[nH]c1C(=O)Nc1ccccc1
InChIInChI=1S/C11H11N5O2/c12-16-11(18)9-8(13-6-14-9)10(17)15-7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)(H,15,17)(H,16,18)
InChIKeyOPVSAFKUPCRXIQ-UHFFFAOYSA-N
XLogP0.27
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide (CID 564870) is 4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide is NNC(=O)c1nc[nH]c1C(=O)Nc1ccccc1.
What is the InChIKey of 4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide?
The InChIKey is OPVSAFKUPCRXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c12-16-11(18)9-8(13-6-14-9)10(17)15-7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)(H,15,17)(H,16,18).
What are the key properties of 4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide?
4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 564870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).