2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine

C11H12BrN3 — CID 82486907

IUPAC2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
SMILESNCCn1ccnc1-c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3/c12-10-3-1-9(2-4-10)11-14-6-8-15(11)7-5-13/h1-4,6,8H,5,7,13H2
InChIKeyWLWVJWFVZXJDRL-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.27
Rot. Bonds3

About 2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine

2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine (PubChem CID 82486907) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
PubChem CID82486907
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
SMILESNCCn1ccnc1-c1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3/c12-10-3-1-9(2-4-10)11-14-6-8-15(11)7-5-13/h1-4,6,8H,5,7,13H2
InChIKeyWLWVJWFVZXJDRL-UHFFFAOYSA-N
XLogP2.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-dichlorophenyl)imidazol-1-yl]ethanamine
CID 82559612
2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine
CID 82559780
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
CID 82559349
3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol
CID 82560779
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674
2-(4-bromophenyl)-1-[(4-methylsulfonylphenyl)methyl]imidazole
CID 82562213
4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
CID 82559228
1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
CID 82562103
3-[2-(4-aminophenyl)imidazol-1-yl]propanamide
CID 60998965
3-[2-[4-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]propan-1-amine;dihydrochloride
CID 154923637
4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
CID 82559620
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine (CID 82486907) is 2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine is NCCn1ccnc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine?
The InChIKey is WLWVJWFVZXJDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-10-3-1-9(2-4-10)11-14-6-8-15(11)7-5-13/h1-4,6,8H,5,7,13H2.
What are the key properties of 2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine?
2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine has a molecular weight of 266.14 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 82486907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).