N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine

C12H14BrN3 — CID 66818221

IUPACN-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine
SMILESCc1cc(N(C)c2ncc[nH]2)cc(C)c1Br
InChIInChI=1S/C12H14BrN3/c1-8-6-10(7-9(2)11(8)13)16(3)12-14-4-5-15-12/h4-7H,1-3H3,(H,14,15)
InChIKeyLXYLQBCFFKJVPK-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.56
Rot. Bonds2

About N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine

N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine (PubChem CID 66818221) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine
PubChem CID66818221
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine
SMILESCc1cc(N(C)c2ncc[nH]2)cc(C)c1Br
InChIInChI=1S/C12H14BrN3/c1-8-6-10(7-9(2)11(8)13)16(3)12-14-4-5-15-12/h4-7H,1-3H3,(H,14,15)
InChIKeyLXYLQBCFFKJVPK-UHFFFAOYSA-N
XLogP3.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine (CID 66818221) is N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine is Cc1cc(N(C)c2ncc[nH]2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine?
The InChIKey is LXYLQBCFFKJVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-6-10(7-9(2)11(8)13)16(3)12-14-4-5-15-12/h4-7H,1-3H3,(H,14,15).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine?
N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine has a molecular weight of 280.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-N-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 66818221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).