4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide

C10H9BrN6O — CID 135441765

IUPAC4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]cnc1/N=N/Nc1ccc(Br)cc1
InChIInChI=1S/C10H9BrN6O/c11-6-1-3-7(4-2-6)15-17-16-10-8(9(12)18)13-5-14-10/h1-5H,(H2,12,18)(H,13,14)(H,15,16)
InChIKeyRWOHYKFFKWVWAO-UHFFFAOYSA-N
MW309.13 g/mol
LogP2.38
Rot. Bonds4

About 4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide

4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide (PubChem CID 135441765) has the molecular formula C10H9BrN6O and a molecular weight of 309.13 g/mol. Its IUPAC name is 4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide
PubChem CID135441765
Molecular FormulaC10H9BrN6O
Molecular Weight309.13 g/mol
Exact Mass308.00
IUPAC Name4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]cnc1/N=N/Nc1ccc(Br)cc1
InChIInChI=1S/C10H9BrN6O/c11-6-1-3-7(4-2-6)15-17-16-10-8(9(12)18)13-5-14-10/h1-5H,(H2,12,18)(H,13,14)(H,15,16)
InChIKeyRWOHYKFFKWVWAO-UHFFFAOYSA-N
XLogP2.38
TPSA108.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide
CID 135804075
4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135459437
4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide
CID 174089409
4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 166540383
2-[2-acetyloxyethyl-[(E)-(5-carbamoyl-1H-imidazol-4-yl)diazenyl]amino]ethyl acetate
CID 135459384
4-(15N)azanyl-1H-imidazole-5-(14N)carboxamide
CID 101129871
(4-bromophenyl)urea
CID 16074
4-amino-1H-imidazole-5-carboxamide;molecular hydrogen
CID 161460316
4-(diaminomethylideneamino)-1H-imidazole-5-carboxylic acid
CID 90774522
4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide
CID 135418548
2-[(4-bromophenyl)hydrazinylidene]-3-chloro-3-oxopropanoic acid
CID 174928628
N'-(4-bromophenyl)propanediamide
CID 15154636

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide (CID 135441765) is 4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide is NC(=O)c1[nH]cnc1/N=N/Nc1ccc(Br)cc1.
What is the InChIKey of 4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide?
The InChIKey is RWOHYKFFKWVWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN6O/c11-6-1-3-7(4-2-6)15-17-16-10-8(9(12)18)13-5-14-10/h1-5H,(H2,12,18)(H,13,14)(H,15,16).
What are the key properties of 4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide?
4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide has a molecular weight of 309.13 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135441765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).