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

C13H15Cl2N3 — CID 82559620

IUPAC4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
SMILESNCCCCn1ccnc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c14-11-4-3-10(9-12(11)15)13-17-6-8-18(13)7-2-1-5-16/h3-4,6,8-9H,1-2,5,7,16H2
InChIKeyUYJOOCVLRBHLTB-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.60
Rot. Bonds5

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

4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine (PubChem CID 82559620) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
PubChem CID82559620
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
SMILESNCCCCn1ccnc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c14-11-4-3-10(9-12(11)15)13-17-6-8-18(13)7-2-1-5-16/h3-4,6,8-9H,1-2,5,7,16H2
InChIKeyUYJOOCVLRBHLTB-UHFFFAOYSA-N
XLogP3.60
TPSA43.84 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 ≤ 53.60
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

2-[2-(3,4-dichlorophenyl)imidazol-1-yl]ethanamine
CID 82559612
3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine
CID 82559619
4-[2-(2,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
CID 82559638
[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559625
4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
CID 82559228
3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559838
3-[2-(3-nitrophenyl)imidazol-1-yl]propan-1-amine
CID 82559262
3-[2-[4-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]propan-1-amine;dihydrochloride
CID 154923637
2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
CID 82486907
1-(4-bromobutyl)-2-(2,4-dichlorophenyl)imidazole
CID 69251511
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
CID 82559349
3-(1-butylimidazol-2-yl)aniline
CID 60813678

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine?
The IUPAC name of 4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine (CID 82559620) is 4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine is NCCCCn1ccnc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine?
The InChIKey is UYJOOCVLRBHLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c14-11-4-3-10(9-12(11)15)13-17-6-8-18(13)7-2-1-5-16/h3-4,6,8-9H,1-2,5,7,16H2.
What are the key properties of 4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine?
4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine has a molecular weight of 284.19 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine is sourced from PubChem (CID 82559620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).