N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine

C10H10BrN3O — CID 106573908

IUPACN-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine
SMILESCOc1ccc(Nc2ncc[nH]2)cc1Br
InChIInChI=1S/C10H10BrN3O/c1-15-9-3-2-7(6-8(9)11)14-10-12-4-5-13-10/h2-6H,1H3,(H2,12,13,14)
InChIKeyPLUITJDTZJSDSI-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.92
Rot. Bonds3

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

N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine (PubChem CID 106573908) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine
PubChem CID106573908
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC NameN-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine
SMILESCOc1ccc(Nc2ncc[nH]2)cc1Br
InChIInChI=1S/C10H10BrN3O/c1-15-9-3-2-7(6-8(9)11)14-10-12-4-5-13-10/h2-6H,1H3,(H2,12,13,14)
InChIKeyPLUITJDTZJSDSI-UHFFFAOYSA-N
XLogP2.92
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine
CID 106576619
3-(3-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 55027759
N-(3-bromo-4-methoxyphenyl)-1-methylimidazol-2-amine
CID 106573944
N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine
CID 106573915
2-(3-bromo-4-methoxyanilino)pyrimidine-4-carbonitrile
CID 107544716
2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole
CID 61095982
5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
CID 113424113
N-(3-bromo-4-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80925138
5-chloro-N-(1H-imidazol-2-yl)-2-methoxybenzamide
CID 60967782
N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83156364
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
4-N-(3-bromo-4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 80846996

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine (CID 106573908) is N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine is COc1ccc(Nc2ncc[nH]2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine?
The InChIKey is PLUITJDTZJSDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-15-9-3-2-7(6-8(9)11)14-10-12-4-5-13-10/h2-6H,1H3,(H2,12,13,14).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine?
N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine has a molecular weight of 268.11 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 106573908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).