1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine

C12H14BrN3 — CID 106564505

IUPAC1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine
SMILESCc1cn(C(C)c2cccc(Br)c2)c(N)n1
InChIInChI=1S/C12H14BrN3/c1-8-7-16(12(14)15-8)9(2)10-4-3-5-11(13)6-10/h3-7,9H,1-2H3,(H2,14,15)
InChIKeyUFJQRDMPELBFGA-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.15
Rot. Bonds2

About 1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine

1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine (PubChem CID 106564505) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine
PubChem CID106564505
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine
SMILESCc1cn(C(C)c2cccc(Br)c2)c(N)n1
InChIInChI=1S/C12H14BrN3/c1-8-7-16(12(14)15-8)9(2)10-4-3-5-11(13)6-10/h3-7,9H,1-2H3,(H2,14,15)
InChIKeyUFJQRDMPELBFGA-UHFFFAOYSA-N
XLogP3.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562251
1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine
CID 106564555
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
3-[1-(3-bromophenyl)ethyl]-2-(chloromethyl)-5-methylimidazo[4,5-b]pyridine
CID 81139142
1-(3-bromophenyl)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-amine
CID 55018433
4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80807102
N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine
CID 106564464
2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
CID 78988750
1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575101
1-[1-(3-bromophenyl)ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79874250
N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66149676
4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80807914

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine (CID 106564505) is 1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine is Cc1cn(C(C)c2cccc(Br)c2)c(N)n1.
What is the InChIKey of 1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine?
The InChIKey is UFJQRDMPELBFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-7-16(12(14)15-8)9(2)10-4-3-5-11(13)6-10/h3-7,9H,1-2H3,(H2,14,15).
What are the key properties of 1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine?
1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine has a molecular weight of 280.17 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)ethyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106564505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).