[4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine

C15H20BrN3 — CID 84605016

IUPAC[4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine
SMILESCC(C)Cc1ccc(-c2c(Br)nc(CN)n2C)cc1
InChIInChI=1S/C15H20BrN3/c1-10(2)8-11-4-6-12(7-5-11)14-15(16)18-13(9-17)19(14)3/h4-7,10H,8-9,17H2,1-3H3
InChIKeyUQBRZKQEABEHDA-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.51
Rot. Bonds4

About [4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine

[4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine (PubChem CID 84605016) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is [4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine
PubChem CID84605016
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name[4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine
SMILESCC(C)Cc1ccc(-c2c(Br)nc(CN)n2C)cc1
InChIInChI=1S/C15H20BrN3/c1-10(2)8-11-4-6-12(7-5-11)14-15(16)18-13(9-17)19(14)3/h4-7,10H,8-9,17H2,1-3H3
InChIKeyUQBRZKQEABEHDA-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-1-methyl-5-(2-methyl-3H-benzimidazol-5-yl)imidazol-2-yl]methanamine
CID 84604081
[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 84606541
[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine
CID 106463197
4-bromo-5-(4-fluorophenyl)-1-(methoxymethyl)-2-[4-(2-methylpropyl)phenyl]imidazole
CID 134247510
2-[5-bromo-2-[4-(2-methylpropyl)phenyl]-1,3-thiazol-4-yl]ethanamine
CID 116868361
1-bromo-2-[4-(2-methylpropyl)phenyl]benzene
CID 145150198
[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine
CID 95474586
[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine
CID 82478232
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225
[4-(2-methylpropyl)phenyl]methylphosphane
CID 69020974
[2-methyl-5-[4-(2-methylpropyl)phenyl]phenyl]methanamine;hydrochloride
CID 172652279
[5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine
CID 84604334

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine?
The IUPAC name of [4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine (CID 84605016) is [4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine.
What is the SMILES notation for [4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine?
The canonical SMILES for [4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine is CC(C)Cc1ccc(-c2c(Br)nc(CN)n2C)cc1.
What is the InChIKey of [4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine?
The InChIKey is UQBRZKQEABEHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10(2)8-11-4-6-12(7-5-11)14-15(16)18-13(9-17)19(14)3/h4-7,10H,8-9,17H2,1-3H3.
What are the key properties of [4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine?
[4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine has a molecular weight of 322.25 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine is sourced from PubChem (CID 84605016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).