1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine

C11H11BrClN3 — CID 114706646

IUPAC1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H11BrClN3/c1-7(14)11-5-15-6-16(11)8-2-3-10(13)9(12)4-8/h2-7H,14H2,1H3
InChIKeyFZKWVQPAPXPJBE-UHFFFAOYSA-N
MW300.59 g/mol
LogP3.31
Rot. Bonds2

About 1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine

1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine (PubChem CID 114706646) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is 1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
PubChem CID114706646
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H11BrClN3/c1-7(14)11-5-15-6-16(11)8-2-3-10(13)9(12)4-8/h2-7H,14H2,1H3
InChIKeyFZKWVQPAPXPJBE-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114705178
2-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444265
1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 114702831
1-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114706316
1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
CID 114703750
(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine
CID 104943457
(1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine
CID 104941553
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
1-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 114702940
1-[3-(3,5-dichloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 107581302
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 104943469
(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine
CID 104942107

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine (CID 114706646) is 1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine is CC(N)c1cncn1-c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is FZKWVQPAPXPJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3/c1-7(14)11-5-15-6-16(11)8-2-3-10(13)9(12)4-8/h2-7H,14H2,1H3.
What are the key properties of 1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine?
1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine has a molecular weight of 300.59 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114706646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).