1H-Imidazole, 5-((3,5-dichlorophenyl)methyl)-1,2-dimethyl-4-(1-methylethyl)-

HCID 474012

Notes Reactions

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Basic information

CAS: 178979-93-6
Standard SMILES: Cc1nc(C(C)C)c(Cc2cc(Cl)cc(Cl)c2)n1C
InChIKey: LQVGMGCAGDLNMR-UHFFFAOYSA-N
Molecular formula: C15H18Cl2N2
Average molar mass: 297.2 g/mol
Monoisotopic mass: 296.084704

Names & identifiers

Preferred name: 1H-Imidazole, 5-((3,5-dichlorophenyl)methyl)-1,2-dimethyl-4-(1-methylethyl)-
IUPAC: 5-[(3,5-dichlorophenyl)methyl]-1,2-dimethyl-4-propan-2-ylimidazole

Names & synonyms

178979-93-61H-Imidazole, 5-((3,5-dichlorophenyl)methyl)-1,2-dimethyl-4-(1-methylethyl)-1H-Imidazole, 5-[(3,5-dichlorophenyl)methyl]-1,2-dimethyl-4-(1-methylethyl)-SCHEMBL6973911DTXSID20170693LQVGMGCAGDLNMR-UHFFFAOYSA-N5-(3,5-dichlorobenzyl)-1,2-dimethyl-4-isopropyl-1H-imidazole5-[(3,5-dichlorophenyl)methyl]-4-isopropyl-1,2-dimethyl-imidazole5-[(3,5-Dichlorophenyl)methyl]-1,2-dimethyl-4-(propan-2-yl)-1H-imidazole

Database identifiers

CAS: 178979-93-6
PubChem CID: 474012
DTXSID: DTXSID20170693

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 288

Related reactions

2 records

New reaction record

HRID 1416035As productuspto-grants-1999_06

HRID 2333357As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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