N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine

C15H19Cl2N3O — CID 106555948

IUPACN-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-10-5-6-12(16)14(13(10)17)19-15-18-11(2)9-20(15)7-4-8-21-3/h5-6,9H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyHEWOBAOAYLDBOK-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.59
Rot. Bonds6

About N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine

N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106555948) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
PubChem CID106555948
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
SMILESCOCCCn1cc(C)nc1Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-10-5-6-12(16)14(13(10)17)19-15-18-11(2)9-20(15)7-4-8-21-3/h5-6,9H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyHEWOBAOAYLDBOK-UHFFFAOYSA-N
XLogP4.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106578795
N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107795879
1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557357
1-butyl-N-(2-chloro-6-methylphenyl)-4-methylimidazol-2-amine
CID 106576255
N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106557078
1-(3-methoxypropyl)-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570758
N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106576265
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine
CID 107587270
N-(4-bromo-3-methoxyphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106579189
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
N-(2,6-diethylphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106556075

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine (CID 106555948) is N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine is COCCCn1cc(C)nc1Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is HEWOBAOAYLDBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-10-5-6-12(16)14(13(10)17)19-15-18-11(2)9-20(15)7-4-8-21-3/h5-6,9H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine?
N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 328.24 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106555948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).