(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine

C11H11BrClN3 — CID 104942107

IUPAC(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1-c1ccc(Br)cc1Cl
InChIInChI=1S/C11H11BrClN3/c1-7(14)11-5-15-6-16(11)10-3-2-8(12)4-9(10)13/h2-7H,14H2,1H3/t7-/m0/s1
InChIKeyDALGHKCZTFKTLS-ZETCQYMHSA-N
MW300.59 g/mol
LogP3.31
Rot. Bonds2

About (1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine

(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine (PubChem CID 104942107) has the molecular formula C11H11BrClN3 and a molecular weight of 300.59 g/mol. Its IUPAC name is (1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine
PubChem CID104942107
Molecular FormulaC11H11BrClN3
Molecular Weight300.59 g/mol
Exact Mass298.98
IUPAC Name(1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1-c1ccc(Br)cc1Cl
InChIInChI=1S/C11H11BrClN3/c1-7(14)11-5-15-6-16(11)10-3-2-8(12)4-9(10)13/h2-7H,14H2,1H3/t7-/m0/s1
InChIKeyDALGHKCZTFKTLS-ZETCQYMHSA-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

(1R)-1-[3-(2-chloro-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 104941508
(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942294
(1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine
CID 104943472
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 104943469
(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine
CID 104941597
1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
CID 114703750
1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 114706646
(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine
CID 104943457
1-[3-(2-bromo-4-fluorophenyl)imidazol-4-yl]ethanamine
CID 114704000
1-[3-(4-bromo-2-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969435
1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702775
1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 114702831

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine (CID 104942107) is (1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine is C[C@H](N)c1cncn1-c1ccc(Br)cc1Cl.
What is the InChIKey of (1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is DALGHKCZTFKTLS-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11BrClN3/c1-7(14)11-5-15-6-16(11)10-3-2-8(12)4-9(10)13/h2-7H,14H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(4-bromo-2-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 (1S)-1-[3-(4-bromo-2-chlorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).