2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride

C10H13Cl4N3O — CID 159061331

IUPAC2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride
SMILESCl.Cl.Nc1c(Cl)cc(OCC2=NCCN2)cc1Cl
InChIInChI=1S/C10H11Cl2N3O.2ClH/c11-7-3-6(4-8(12)10(7)13)16-5-9-14-1-2-15-9;;/h3-4H,1-2,5,13H2,(H,14,15);2*1H
InChIKeyJYMUDVGNSULKOS-UHFFFAOYSA-N
MW333.05 g/mol
LogP2.80
Rot. Bonds3

About 2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride

2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride (PubChem CID 159061331) has the molecular formula C10H13Cl4N3O and a molecular weight of 333.05 g/mol. Its IUPAC name is 2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride.

Molecular Properties

Compound Name2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride
PubChem CID159061331
Molecular FormulaC10H13Cl4N3O
Molecular Weight333.05 g/mol
Exact Mass330.98
IUPAC Name2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride
SMILESCl.Cl.Nc1c(Cl)cc(OCC2=NCCN2)cc1Cl
InChIInChI=1S/C10H11Cl2N3O.2ClH/c11-7-3-6(4-8(12)10(7)13)16-5-9-14-1-2-15-9;;/h3-4H,1-2,5,13H2,(H,14,15);2*1H
InChIKeyJYMUDVGNSULKOS-UHFFFAOYSA-N
XLogP2.80
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.05
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride?
The IUPAC name of 2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride (CID 159061331) is 2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride.
What is the SMILES notation for 2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride?
The canonical SMILES for 2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride is Cl.Cl.Nc1c(Cl)cc(OCC2=NCCN2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride?
The InChIKey is JYMUDVGNSULKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O.2ClH/c11-7-3-6(4-8(12)10(7)13)16-5-9-14-1-2-15-9;;/h3-4H,1-2,5,13H2,(H,14,15);2*1H.
What are the key properties of 2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride?
2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride has a molecular weight of 333.05 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride is sourced from PubChem (CID 159061331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).