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

C15H20BrN3 — CID 114706014

IUPAC1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1ccc(-n2cncc2C(N)CC(C)C)cc1Br
InChIInChI=1S/C15H20BrN3/c1-10(2)6-14(17)15-8-18-9-19(15)12-5-4-11(3)13(16)7-12/h4-5,7-10,14H,6,17H2,1-3H3
InChIKeyFYWLXFGCMINXQC-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.99
Rot. Bonds4

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

1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114706014) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114706014
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1ccc(-n2cncc2C(N)CC(C)C)cc1Br
InChIInChI=1S/C15H20BrN3/c1-10(2)6-14(17)15-8-18-9-19(15)12-5-4-11(3)13(16)7-12/h4-5,7-10,14H,6,17H2,1-3H3
InChIKeyFYWLXFGCMINXQC-UHFFFAOYSA-N
XLogP3.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3-bromo-4-methylphenyl)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-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706294
1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114705691
1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114223411
1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702764
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
3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
CID 114704021
3-methyl-1-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
CID 114705989
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine
CID 104941641
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 114706014) is 1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine is Cc1ccc(-n2cncc2C(N)CC(C)C)cc1Br.
What is the InChIKey of 1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is FYWLXFGCMINXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10(2)6-14(17)15-8-18-9-19(15)12-5-4-11(3)13(16)7-12/h4-5,7-10,14H,6,17H2,1-3H3.
What are the key properties of 1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114706014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).