N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine

C11H12BrN3 — CID 107627985

IUPACN-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine
SMILESCc1c(Br)cccc1Nc1nccn1C
InChIInChI=1S/C11H12BrN3/c1-8-9(12)4-3-5-10(8)14-11-13-6-7-15(11)2/h3-7H,1-2H3,(H,13,14)
InChIKeyWEBMVZJEEGBYAT-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.23
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine

N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine (PubChem CID 107627985) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine
PubChem CID107627985
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC NameN-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine
SMILESCc1c(Br)cccc1Nc1nccn1C
InChIInChI=1S/C11H12BrN3/c1-8-9(12)4-3-5-10(8)14-11-13-6-7-15(11)2/h3-7H,1-2H3,(H,13,14)
InChIKeyWEBMVZJEEGBYAT-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]aniline
CID 103936018
N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine
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N-(4-bromo-2-methylphenyl)-1-methylimidazol-2-amine
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3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
CID 107638555
N-(4-bromo-5-fluoro-2-methylphenyl)-1-methylimidazol-2-amine
CID 106582320
N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine
CID 106574267
N-[2-(chloromethyl)phenyl]-1-methylimidazol-2-amine
CID 65027388
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine
CID 107636993
N-(3-chlorophenyl)-1-methylimidazol-2-amine
CID 68890475
1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine
CID 102806061
N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine
CID 106579210

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine (CID 107627985) is N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine is Cc1c(Br)cccc1Nc1nccn1C.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine?
The InChIKey is WEBMVZJEEGBYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8-9(12)4-3-5-10(8)14-11-13-6-7-15(11)2/h3-7H,1-2H3,(H,13,14).
What are the key properties of N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine?
N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine has a molecular weight of 266.14 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 107627985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).