2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride

C18H22Cl6N8 — CID 173410610

IUPAC2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride
SMILESCl.Cl.Nc1c(Cl)ccc(NC2=NCCN2)c1Cl.Nc1ccc(Cl)c(NC2=NCCN2)c1Cl
InChIInChI=1S/2C9H10Cl2N4.2ClH/c10-5-1-2-6(7(11)8(5)12)15-9-13-3-4-14-9;10-5-1-2-6(12)7(11)8(5)15-9-13-3-4-14-9;;/h2*1-2H,3-4,12H2,(H2,13,14,15);2*1H
InChIKeyPOOPKMRTOIMVTA-UHFFFAOYSA-N
MW563.15 g/mol
LogP4.74
Rot. Bonds2

About 2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride

2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride (PubChem CID 173410610) has the molecular formula C18H22Cl6N8 and a molecular weight of 563.15 g/mol. Its IUPAC name is 2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride
PubChem CID173410610
Molecular FormulaC18H22Cl6N8
Molecular Weight563.15 g/mol
Exact Mass560.01
IUPAC Name2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride
SMILESCl.Cl.Nc1c(Cl)ccc(NC2=NCCN2)c1Cl.Nc1ccc(Cl)c(NC2=NCCN2)c1Cl
InChIInChI=1S/2C9H10Cl2N4.2ClH/c10-5-1-2-6(7(11)8(5)12)15-9-13-3-4-14-9;10-5-1-2-6(12)7(11)8(5)15-9-13-3-4-14-9;;/h2*1-2H,3-4,12H2,(H2,13,14,15);2*1H
InChIKeyPOOPKMRTOIMVTA-UHFFFAOYSA-N
XLogP4.74
TPSA124.88 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.15
LogP ≤ 54.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride?
The IUPAC name of 2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride (CID 173410610) is 2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride?
The canonical SMILES for 2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride is Cl.Cl.Nc1c(Cl)ccc(NC2=NCCN2)c1Cl.Nc1ccc(Cl)c(NC2=NCCN2)c1Cl.
What is the InChIKey of 2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride?
The InChIKey is POOPKMRTOIMVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10Cl2N4.2ClH/c10-5-1-2-6(7(11)8(5)12)15-9-13-3-4-14-9;10-5-1-2-6(12)7(11)8(5)15-9-13-3-4-14-9;;/h2*1-2H,3-4,12H2,(H2,13,14,15);2*1H.
What are the key properties of 2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride?
2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride has a molecular weight of 563.15 g/mol, XLogP of 4.74, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride is sourced from PubChem (CID 173410610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).