1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine

C15H20BrN3 — CID 114706929

IUPAC1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1cccc(-n2cncc2C(N)CC(C)C)c1Br
InChIInChI=1S/C15H20BrN3/c1-10(2)7-12(17)14-8-18-9-19(14)13-6-4-5-11(3)15(13)16/h4-6,8-10,12H,7,17H2,1-3H3
InChIKeyMDKPWJKBFGMQQH-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.99
Rot. Bonds4

About 1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine

1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114706929) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114706929
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCc1cccc(-n2cncc2C(N)CC(C)C)c1Br
InChIInChI=1S/C15H20BrN3/c1-10(2)7-12(17)14-8-18-9-19(14)13-6-4-5-11(3)15(13)16/h4-6,8-10,12H,7,17H2,1-3H3
InChIKeyMDKPWJKBFGMQQH-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

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Related Compounds

3-methyl-1-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
CID 114706546
3-methyl-1-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]butan-1-amine
CID 114705989
1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703449
1-[3-(2-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703387
1-[3-(3-bromo-4-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706014
1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703108
1-[3-(2,4-dichlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702775
1-[3-(5-bromo-3-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114223411
1-[3-(4-fluoro-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114705691
1-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 107984716
1-[3-(4-tert-butylphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114702764
1-[3-(3-ethyl-1-methylpyrazol-4-yl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107465373

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 114706929) is 1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine is Cc1cccc(-n2cncc2C(N)CC(C)C)c1Br.
What is the InChIKey of 1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is MDKPWJKBFGMQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10(2)7-12(17)14-8-18-9-19(14)13-6-4-5-11(3)15(13)16/h4-6,8-10,12H,7,17H2,1-3H3.
What are the key properties of 1-[3-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(2-bromo-3-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-(2-bromo-3-methylphenyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114706929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).