1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine

C11H12BrN3 — CID 114703750

IUPAC1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3/c1-8(13)11-6-14-7-15(11)10-4-2-9(12)3-5-10/h2-8H,13H2,1H3
InChIKeyDNMAOKWKDLCWFK-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.65
Rot. Bonds2

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

1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine (PubChem CID 114703750) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
PubChem CID114703750
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3/c1-8(13)11-6-14-7-15(11)10-4-2-9(12)3-5-10/h2-8H,13H2,1H3
InChIKeyDNMAOKWKDLCWFK-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine
CID 104943457
(1S)-1-[3-(4-methylsulfanylphenyl)imidazol-4-yl]ethanamine
CID 104941738
1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine
CID 114702632
1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 114706646
1-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114706316
(1S)-1-[3-(4-methylsulfonylphenyl)imidazol-4-yl]ethanamine
CID 104942096
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol
CID 104942381
1-[3-(4-morpholin-4-ylphenyl)imidazol-4-yl]ethanamine
CID 114705855
(1S)-1-[3-(5-bromo-2-methylphenyl)imidazol-4-yl]ethanamine
CID 104942294
1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 114706260
(1S)-1-[3-[3-bromo-5-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 104943209

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine (CID 114703750) is 1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine is CC(N)c1cncn1-c1ccc(Br)cc1.
What is the InChIKey of 1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine?
The InChIKey is DNMAOKWKDLCWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8(13)11-6-14-7-15(11)10-4-2-9(12)3-5-10/h2-8H,13H2,1H3.
What are the key properties of 1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine?
1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine has a molecular weight of 266.14 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114703750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).