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

C12H13N5O2 — CID 823571

IUPAC4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]cnc2C(=O)NN)cc1
InChIInChI=1S/C12H13N5O2/c1-7-2-4-8(5-3-7)16-11(18)9-10(12(19)17-13)15-6-14-9/h2-6H,13H2,1H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyMBISWCGGLARJBA-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.57
Rot. Bonds3

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

4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide (PubChem CID 823571) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
PubChem CID823571
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]cnc2C(=O)NN)cc1
InChIInChI=1S/C12H13N5O2/c1-7-2-4-8(5-3-7)16-11(18)9-10(12(19)17-13)15-6-14-9/h2-6H,13H2,1H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyMBISWCGGLARJBA-UHFFFAOYSA-N
XLogP0.57
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.57
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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Related Compounds

ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 847566
tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
CID 16746593
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
tert-butyl (2S)-2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]propanoate
CID 16746629
4-N-(4-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736421
5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736447
5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 144936571
4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123410514
N-(4-methylphenyl)-5-nitro-1H-imidazole-4-carboxamide
CID 135513600
methyl 4-[(4-aminophenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 118419349
N-[4-[2-(2-chloro-4-methylphenyl)-2-oxoethyl]phenyl]-4-propanoyl-1H-imidazole-5-carboxamide
CID 161261913
ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate
CID 46904173

Frequently Asked Questions

What is the IUPAC name of 4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide (CID 823571) is 4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide is Cc1ccc(NC(=O)c2[nH]cnc2C(=O)NN)cc1.
What is the InChIKey of 4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is MBISWCGGLARJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-2-4-8(5-3-7)16-11(18)9-10(12(19)17-13)15-6-14-9/h2-6H,13H2,1H3,(H,14,15)(H,16,18)(H,17,19).
What are the key properties of 4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide?
4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 823571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).