3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine

C13H15Cl2N3 — CID 82559619

IUPAC3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine
SMILESCNCCCn1ccnc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-16-5-2-7-18-8-6-17-13(18)10-3-4-11(14)12(15)9-10/h3-4,6,8-9,16H,2,5,7H2,1H3
InChIKeyHELULKFJRHJFGY-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.47
Rot. Bonds5

About 3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine

3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine (PubChem CID 82559619) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine
PubChem CID82559619
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine
SMILESCNCCCn1ccnc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-16-5-2-7-18-8-6-17-13(18)10-3-4-11(14)12(15)9-10/h3-4,6,8-9,16H,2,5,7H2,1H3
InChIKeyHELULKFJRHJFGY-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
CID 82559620
2-[2-(3,4-dichlorophenyl)imidazol-1-yl]ethanamine
CID 82559612
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 82772140
[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559625
N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline
CID 82559225
N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine
CID 82559211
N-[1-(4-chlorophenyl)ethyl]-3-(2-phenylimidazol-1-yl)propan-1-amine;hydrate;dihydrochloride
CID 19429407
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole
CID 75396526
2-(4-chloro-3-methylphenyl)-1-methylimidazole
CID 172691387

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine (CID 82559619) is 3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine is CNCCCn1ccnc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine?
The InChIKey is HELULKFJRHJFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-16-5-2-7-18-8-6-17-13(18)10-3-4-11(14)12(15)9-10/h3-4,6,8-9,16H,2,5,7H2,1H3.
What are the key properties of 3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine?
3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine has a molecular weight of 284.19 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 82559619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).