2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine

C9H10Cl2N4 — CID 2216

IUPAC2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIInChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
InChIKeyIEJXVRYNEISIKR-UHFFFAOYSA-N
MW245.11 g/mol
LogP1.95
Rot. Bonds1

About 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine

2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine (PubChem CID 2216) has the molecular formula C9H10Cl2N4 and a molecular weight of 245.11 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
PubChem CID2216
Molecular FormulaC9H10Cl2N4
Molecular Weight245.11 g/mol
Exact Mass244.03
IUPAC Name2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIInChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
InChIKeyIEJXVRYNEISIKR-UHFFFAOYSA-N
XLogP1.95
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 2803
Clonidine Hydrochloride
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CID 4656
p-Iodoclonidine hydrochloride
CID 11957583
N-(2,6-dichlorophenyl)-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 12699315
1-Cyano-3-(3,5-dichlorophenyl)-2-(3,3-dimethylbutan-2-yl)guanidine
CID 10757544
N-Cyano-N'-(3,5-dichlorophenyl)-N"-(3-methylbutyl)-guanidine
CID 11197309
2-((2-Chloroanilino)methyl)-2-imidazoline
CID 13123534
(5S)-5-(2-aminoethyl)-N-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrobromide
CID 53323537
N~2~-(2-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 732270

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine (CID 2216) is 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine is Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
The InChIKey is IEJXVRYNEISIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15).
What are the key properties of 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine has a molecular weight of 245.11 g/mol, XLogP of 1.95, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 2216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).