2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine

C14H17BrClN3 — CID 107444285

IUPAC2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1cncn1-c1ccc(Cl)cc1Br
InChIInChI=1S/C14H17BrClN3/c1-9(2)11(6-17)14-7-18-8-19(14)13-4-3-10(16)5-12(13)15/h3-5,7-9,11H,6,17H2,1-2H3
InChIKeyXHNJBOUZNLWEMN-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.99
Rot. Bonds4

About 2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine

2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 107444285) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID107444285
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1cncn1-c1ccc(Cl)cc1Br
InChIInChI=1S/C14H17BrClN3/c1-9(2)11(6-17)14-7-18-8-19(14)13-4-3-10(16)5-12(13)15/h3-5,7-9,11H,6,17H2,1-2H3
InChIKeyXHNJBOUZNLWEMN-UHFFFAOYSA-N
XLogP3.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(5-chloro-2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443874
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 104943469
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine
CID 104943468
2-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444265
2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444004
[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]methanamine
CID 114706823
2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444056
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444003
2-[3-(3-chloro-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443926
2-[3-(5-fluoro-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444228
2-[3-[2-(difluoromethylsulfanyl)phenyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443932
1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 114704000

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 107444285) is 2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine is CC(C)C(CN)c1cncn1-c1ccc(Cl)cc1Br.
What is the InChIKey of 2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is XHNJBOUZNLWEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-9(2)11(6-17)14-7-18-8-19(14)13-4-3-10(16)5-12(13)15/h3-5,7-9,11H,6,17H2,1-2H3.
What are the key properties of 2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine?
2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 342.67 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 107444285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).