N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine

C11H12BrN3O — CID 106579210

IUPACN-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine
SMILESCOc1cc(Nc2nccn2C)ccc1Br
InChIInChI=1S/C11H12BrN3O/c1-15-6-5-13-11(15)14-8-3-4-9(12)10(7-8)16-2/h3-7H,1-2H3,(H,13,14)
InChIKeyAOLKMFNZVCNSJH-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.93
Rot. Bonds3

About N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine

N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine (PubChem CID 106579210) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine
PubChem CID106579210
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC NameN-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine
SMILESCOc1cc(Nc2nccn2C)ccc1Br
InChIInChI=1S/C11H12BrN3O/c1-15-6-5-13-11(15)14-8-3-4-9(12)10(7-8)16-2/h3-7H,1-2H3,(H,13,14)
InChIKeyAOLKMFNZVCNSJH-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-1-methylimidazol-2-amine
CID 106573944
N-(4-bromo-3-fluorophenyl)-1-methylimidazol-2-amine
CID 106574267
N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine
CID 106573027
N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine
CID 106573915
8-N-(4-bromo-3-methoxyphenyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 82860804
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 82861687
3-(4-bromo-3-methoxyanilino)pyrazine-2-carbothioamide
CID 82867417
N-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazol-2-amine
CID 106557683
4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine
CID 82857790
N-(4-bromo-3-methoxyphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106579189
N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine
CID 106573937
N-(3-chlorophenyl)-1-methylimidazol-2-amine
CID 68890475

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine (CID 106579210) is N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine is COc1cc(Nc2nccn2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine?
The InChIKey is AOLKMFNZVCNSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-15-6-5-13-11(15)14-8-3-4-9(12)10(7-8)16-2/h3-7H,1-2H3,(H,13,14).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine?
N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine has a molecular weight of 282.14 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 106579210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).