1H-Imidazol-2-amine, 4,5-dihydro-N-(2,6-dichlorophenyl)-1-(2-quinolinylcarbonyl)-

HCID 3061958

Notes Reactions

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Basic information

CAS: 80026-76-2
Standard SMILES: O=C(c1ccc2ccccc2n1)N1CCN=C1Nc1c(Cl)cccc1Cl
InChIKey: ZUOGANHZRCNEBW-UHFFFAOYSA-N
Molecular formula: C19H14Cl2N4O
Average molar mass: 385.2 g/mol
Monoisotopic mass: 384.0544665

Names & identifiers

Preferred name: 1H-Imidazol-2-amine, 4,5-dihydro-N-(2,6-dichlorophenyl)-1-(2-quinolinylcarbonyl)-
IUPAC: [2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-quinolin-2-ylmethanone

Names & synonyms

1-(Quinolin-2-oyl)-2-(2',6'-dichlorophenylamino)-2-imidazoline1H-Imidazol-2-amine, 4,5-dihydro-N-(2,6-dichlorophenyl)-1-(2-quinolinylcarbonyl)-80026-76-2DTXSID702300194,5-Dihydro-N-(2,6-dichlorophenyl)-1-(2-quinolinylcarbonyl)-1H-imidazol-2-amineRefChem:237893DTXCID20152510SCHEMBL11096097ZUOGANHZRCNEBW-UHFFFAOYSA-N[2-(2,6-Dichloroanilino)-4,5-dihydro-1H-imidazol-1-yl](quinolin-2-yl)methanone

Database identifiers

CAS: 80026-76-2
PubChem CID: 3061958
DTXSID: DTXSID70230019

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 57.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 548

Related reactions

5 records

New reaction record

HRID 287591As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1221828As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2166824As productuspto-grants-1983_06

HRID 2166826As productuspto-grants-1983_06

HRID 2166828As productuspto-grants-1983_06

Compound notes

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