1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine

C15H19Cl2N3O — CID 106554549

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-10-9-20(15(19-10)18-6-7-21-3)11(2)13-5-4-12(16)8-14(13)17/h4-5,8-9,11H,6-7H2,1-3H3,(H,18,19)
InChIKeyVSXRKNWOSZOHCY-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.17
Rot. Bonds6

About 1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine

1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106554549) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106554549
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3O/c1-10-9-20(15(19-10)18-6-7-21-3)11(2)13-5-4-12(16)8-14(13)17/h4-5,8-9,11H,6-7H2,1-3H3,(H,18,19)
InChIKeyVSXRKNWOSZOHCY-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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

1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine
CID 106554545
N-(2-methoxyethyl)-4-methyl-1-[1-(4-methylphenyl)ethyl]imidazol-2-amine
CID 106567280
1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554900
1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106569745
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106579879
1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106566917
N-(3-methoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562044
1-(3-chloro-4-methylphenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555475
1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568099
N-(2-methoxyethyl)-4-methyl-1-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106569166
N-(3-methoxypropyl)-4-methyl-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562252
1-[1-(3-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106566703

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106554549) is 1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCNc1nc(C)cn1C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is VSXRKNWOSZOHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-10-9-20(15(19-10)18-6-7-21-3)11(2)13-5-4-12(16)8-14(13)17/h4-5,8-9,11H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 328.24 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106554549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).