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

C18H20Cl4N8 — CID 138491779

IUPAC2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
SMILESNc1cc(Cl)c(NC2=NCCN2)c(Cl)c1.Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIInChI=1S/2C9H10Cl2N4/c2*10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h2*3-4H,1-2,12H2,(H2,13,14,15)
InChIKeyBBEONIHNRIRQMM-UHFFFAOYSA-N
MW490.23 g/mol
LogP3.89
Rot. Bonds2

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 138491779) has the molecular formula C18H20Cl4N8 and a molecular weight of 490.23 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 CID138491779
Molecular FormulaC18H20Cl4N8
Molecular Weight490.23 g/mol
Exact Mass488.06
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.Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
InChIInChI=1S/2C9H10Cl2N4/c2*10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h2*3-4H,1-2,12H2,(H2,13,14,15)
InChIKeyBBEONIHNRIRQMM-UHFFFAOYSA-N
XLogP3.89
TPSA124.88 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.23
LogP ≤ 53.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;phosphoric acid
CID 155256199
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;bis(2,2,3,3,4,4,4-heptafluorobutanoic acid)
CID 155256122
3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid;dihydrate
CID 139056648
4-bromo-6-chloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorobenzene-1,3-diamine
CID 139945191
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine
CID 87731251
N-(2-bromo-6-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107611250
4-chloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzene-1,3-diamine
CID 139945187
3-bromo-5-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 174258723
1-[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-methyl-3-sulfanylurea
CID 88707399
1-[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-methyl-3-sulfanylurea;hydrochloride
CID 88707398
N-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 10354248
2-chloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine
CID 125427077

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 138491779) 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.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 BBEONIHNRIRQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10Cl2N4/c2*10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h2*3-4H,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 490.23 g/mol, XLogP of 3.89, 2 rotatable bonds, 6 hydrogen bond donors, and 8 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 138491779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).