1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine

C15H19Cl2N3 — CID 106554545

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-4-7-18-15-19-10(2)9-20(15)11(3)13-6-5-12(16)8-14(13)17/h5-6,8-9,11H,4,7H2,1-3H3,(H,18,19)
InChIKeyWRNGQZPSVVBZGX-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.93
Rot. Bonds5

About 1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine

1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine (PubChem CID 106554545) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine
PubChem CID106554545
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine
SMILESCCCNc1nc(C)cn1C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-4-7-18-15-19-10(2)9-20(15)11(3)13-6-5-12(16)8-14(13)17/h5-6,8-9,11H,4,7H2,1-3H3,(H,18,19)
InChIKeyWRNGQZPSVVBZGX-UHFFFAOYSA-N
XLogP4.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,4-dichlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554549
1-[1-(2-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106566917
1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine
CID 106566998
1-[1-(4-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106565811
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine
CID 106582706
1-(1-cyclopropylpropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106572732
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106564834
1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106557976
N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 106861045
1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558751

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine (CID 106554545) is 1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine is CCCNc1nc(C)cn1C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine?
The InChIKey is WRNGQZPSVVBZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-4-7-18-15-19-10(2)9-20(15)11(3)13-6-5-12(16)8-14(13)17/h5-6,8-9,11H,4,7H2,1-3H3,(H,18,19).
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine?
1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine has a molecular weight of 312.24 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine is sourced from PubChem (CID 106554545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).