1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine

C15H20BrN3O — CID 114706294

IUPAC1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCOc1ccc(-n2cncc2C(N)CC(C)C)cc1Br
InChIInChI=1S/C15H20BrN3O/c1-10(2)6-13(17)14-8-18-9-19(14)11-4-5-15(20-3)12(16)7-11/h4-5,7-10,13H,6,17H2,1-3H3
InChIKeyWOUVWDWQYBWDFW-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.69
Rot. Bonds5

About 1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine

1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114706294) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114706294
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCOc1ccc(-n2cncc2C(N)CC(C)C)cc1Br
InChIInChI=1S/C15H20BrN3O/c1-10(2)6-13(17)14-8-18-9-19(14)11-4-5-15(20-3)12(16)7-11/h4-5,7-10,13H,6,17H2,1-3H3
InChIKeyWOUVWDWQYBWDFW-UHFFFAOYSA-N
XLogP3.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706014
1-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 114702940
1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114705691
3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
CID 114704021
(1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine
CID 104941535
1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702764
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine
CID 114704124
3-methyl-1-[3-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]butan-1-amine
CID 114706948
1-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]ethanamine
CID 114706646
1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706929
2-amino-2-[3-(4-bromo-3-methylphenyl)imidazol-4-yl]ethanol
CID 114703009

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 114706294) is 1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine is COc1ccc(-n2cncc2C(N)CC(C)C)cc1Br.
What is the InChIKey of 1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is WOUVWDWQYBWDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-10(2)6-13(17)14-8-18-9-19(14)11-4-5-15(20-3)12(16)7-11/h4-5,7-10,13H,6,17H2,1-3H3.
What are the key properties of 1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114706294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).