N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine

C12H14BrN3 — CID 106555659

IUPACN-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine
SMILESCCn1ccnc1Nc1ccc(C)cc1Br
InChIInChI=1S/C12H14BrN3/c1-3-16-7-6-14-12(16)15-11-5-4-9(2)8-10(11)13/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyFZKUNKMJQORWSM-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.72
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine

N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine (PubChem CID 106555659) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine
PubChem CID106555659
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC NameN-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine
SMILESCCn1ccnc1Nc1ccc(C)cc1Br
InChIInChI=1S/C12H14BrN3/c1-3-16-7-6-14-12(16)15-11-5-4-9(2)8-10(11)13/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyFZKUNKMJQORWSM-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-1-ethylimidazol-2-amine
CID 114002339
N-(4-bromo-2,5-difluorophenyl)-1-ethylimidazol-2-amine
CID 107608623
N-(5-bromo-2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106571125
N-(2-bromo-4-methylphenyl)-1-cyclopentylimidazol-2-amine
CID 106555665
N-(2-bromo-5-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106578947
N-[4-bromo-2-(trifluoromethoxy)phenyl]-1-ethylimidazol-2-amine
CID 106583296
N-(4-bromo-3-chlorophenyl)-1-ethylimidazol-2-amine
CID 107618236
N-(2-chlorophenyl)-1-ethylimidazol-2-amine
CID 106558776
2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
CID 62736045
N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106560415
N-(2-bromo-5-fluorophenyl)-1-butylimidazol-2-amine
CID 107628372
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106580673

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine (CID 106555659) is N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine is CCn1ccnc1Nc1ccc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine?
The InChIKey is FZKUNKMJQORWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-3-16-7-6-14-12(16)15-11-5-4-9(2)8-10(11)13/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine?
N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine has a molecular weight of 280.17 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-1-ethylimidazol-2-amine is sourced from PubChem (CID 106555659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).