1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine

C12H14BrN3 — CID 106578943

IUPAC1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
SMILESCCNc1nccn1-c1cc(C)ccc1Br
InChIInChI=1S/C12H14BrN3/c1-3-14-12-15-6-7-16(12)11-8-9(2)4-5-10(11)13/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyKZFLYEDZHGHJCC-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.38
Rot. Bonds3

About 1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine

1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine (PubChem CID 106578943) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
PubChem CID106578943
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
SMILESCCNc1nccn1-c1cc(C)ccc1Br
InChIInChI=1S/C12H14BrN3/c1-3-14-12-15-6-7-16(12)11-8-9(2)4-5-10(11)13/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyKZFLYEDZHGHJCC-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-ethylimidazol-2-amine
CID 106558573
N-ethyl-1-(2-fluoro-5-methylphenyl)imidazol-2-amine
CID 106561073
1-(2-bromo-4-chlorophenyl)-N-ethylimidazol-2-amine
CID 106577581
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730
1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine
CID 106578937
1-(4-bromonaphthalen-1-yl)-N-ethylimidazol-2-amine
CID 106579810
1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106555655
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
1-(4-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106556992
1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine
CID 106583604
1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine
CID 106555620
1-(2,5-dimethylphenyl)-N-methylimidazol-2-amine
CID 106558210

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine (CID 106578943) is 1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine is CCNc1nccn1-c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine?
The InChIKey is KZFLYEDZHGHJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-3-14-12-15-6-7-16(12)11-8-9(2)4-5-10(11)13/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine?
1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine has a molecular weight of 280.17 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine is sourced from PubChem (CID 106578943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).