4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide

C16H14BrN5O2 — CID 36626321

IUPAC4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H14BrN5O2/c1-21-9-12(17)8-14(21)16(24)20-19-15(23)11-2-4-13(5-3-11)22-7-6-18-10-22/h2-10H,1H3,(H,19,23)(H,20,24)
InChIKeySAVNAYMVMCSRPY-UHFFFAOYSA-N
MW388.23 g/mol
LogP2.05
Rot. Bonds3

About 4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide

4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide (PubChem CID 36626321) has the molecular formula C16H14BrN5O2 and a molecular weight of 388.23 g/mol. Its IUPAC name is 4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide
PubChem CID36626321
Molecular FormulaC16H14BrN5O2
Molecular Weight388.23 g/mol
Exact Mass387.03
IUPAC Name4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H14BrN5O2/c1-21-9-12(17)8-14(21)16(24)20-19-15(23)11-2-4-13(5-3-11)22-7-6-18-10-22/h2-10H,1H3,(H,19,23)(H,20,24)
InChIKeySAVNAYMVMCSRPY-UHFFFAOYSA-N
XLogP2.05
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide
CID 24533060
N-[4-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 27037249
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide
CID 36626917
4-bromo-N'-[3-(dimethylamino)benzoyl]-1-methylpyrrole-2-carbohydrazide
CID 24552605
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303
N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide
CID 135478140
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
CID 24532975
4-bromo-N'-[(2E,4E)-hexa-2,4-dienoyl]-1-methylpyrrole-2-carbohydrazide
CID 27036806
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide
CID 29028004

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide (CID 36626321) is 4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide is Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide?
The InChIKey is SAVNAYMVMCSRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O2/c1-21-9-12(17)8-14(21)16(24)20-19-15(23)11-2-4-13(5-3-11)22-7-6-18-10-22/h2-10H,1H3,(H,19,23)(H,20,24).
What are the key properties of 4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide?
4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide has a molecular weight of 388.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(4-imidazol-1-ylbenzoyl)-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 36626321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).