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

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Basic information

CAS: 178979-94-7
Standard SMILES: CC(C)c1nc(CN)n(C)c1Cc1cc(Cl)cc(Cl)c1
InChIKey: ZUEYJHOPIHATGY-UHFFFAOYSA-N
Molecular formula: C15H19Cl2N3
Average molar mass: 312.2 g/mol
Monoisotopic mass: 311.095603

Names & identifiers

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

Names & synonyms

178979-94-71H-Imidazole-2-methanamine, 5-((3,5-dichlorophenyl)methyl)-1-methyl-4-(1-methylethyl)-1H-Imidazole-2-methanamine, 5-[(3,5-dichlorophenyl)methyl]-1-methyl-4-(1-methylethyl)-SCHEMBL8099901DTXSID80170694ZUEYJHOPIHATGY-UHFFFAOYSA-N2-aminomethyl-5-(3,5-dichlorobenzyl)-4-isopropyl-1-methyl-1H-imidazole[5-[(3,5-dichlorophenyl)methyl]-4-isopropyl-1-methyl-imidazol-2-yl]methanamine1-{5-[(3,5-Dichlorophenyl)methyl]-1-methyl-4-(propan-2-yl)-1H-imidazol-2-yl}methanamine

Database identifiers

CAS: 178979-94-7
PubChem CID: 474013
DTXSID: DTXSID80170694

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 303

Related reactions

2 records

New reaction record

HRID 1857736As productuspto-grants-2000_11

HRID 2315856As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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