4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride

C10H10BrClN4 — CID 131877341

IUPAC4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride
SMILESClC(=NNC1=NCCN1)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrClN4/c11-8-3-1-7(2-4-8)9(12)15-16-10-13-5-6-14-10/h1-4H,5-6H2,(H2,13,14,16)
InChIKeyQGKOREQTURDMLQ-UHFFFAOYSA-N
MW301.58 g/mol
LogP1.90
Rot. Bonds2

About 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride

4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride (PubChem CID 131877341) has the molecular formula C10H10BrClN4 and a molecular weight of 301.58 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride
PubChem CID131877341
Molecular FormulaC10H10BrClN4
Molecular Weight301.58 g/mol
Exact Mass299.98
IUPAC Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride
SMILESClC(=NNC1=NCCN1)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrClN4/c11-8-3-1-7(2-4-8)9(12)15-16-10-13-5-6-14-10/h1-4H,5-6H2,(H2,13,14,16)
InChIKeyQGKOREQTURDMLQ-UHFFFAOYSA-N
XLogP1.90
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.58
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 110177423
(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride
CID 5360801
N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 911359
4-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-(2-hydroxyethyl)carbonimidoyl]benzoic acid
CID 20981126
N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 171131715
1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea
CID 91194041
N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine
CID 98561244
N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 131012420
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918030
N-(2,6-dibromophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10245368
2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
CID 135636667
N-(2-bromo-3-chloro-5-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 59922089

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride?
The IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride (CID 131877341) is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride.
What is the SMILES notation for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride?
The canonical SMILES for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride is ClC(=NNC1=NCCN1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride?
The InChIKey is QGKOREQTURDMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN4/c11-8-3-1-7(2-4-8)9(12)15-16-10-13-5-6-14-10/h1-4H,5-6H2,(H2,13,14,16).
What are the key properties of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride?
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride has a molecular weight of 301.58 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 131877341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).