1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine

C16H22BrN3 — CID 84610824

IUPAC1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(Br)c(-c2ccc(C(C)(C)C)cc2)n1C
InChIInChI=1S/C16H22BrN3/c1-16(2,3)12-8-6-11(7-9-12)14-15(17)19-13(10-18-4)20(14)5/h6-9,18H,10H2,1-5H3
InChIKeySKHMDJCXFSCXOF-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.87
Rot. Bonds3

About 1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine

1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine (PubChem CID 84610824) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine
PubChem CID84610824
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(Br)c(-c2ccc(C(C)(C)C)cc2)n1C
InChIInChI=1S/C16H22BrN3/c1-16(2,3)12-8-6-11(7-9-12)14-15(17)19-13(10-18-4)20(14)5/h6-9,18H,10H2,1-5H3
InChIKeySKHMDJCXFSCXOF-UHFFFAOYSA-N
XLogP3.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine (CID 84610824) is 1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine is CNCc1nc(Br)c(-c2ccc(C(C)(C)C)cc2)n1C.
What is the InChIKey of 1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine?
The InChIKey is SKHMDJCXFSCXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-16(2,3)12-8-6-11(7-9-12)14-15(17)19-13(10-18-4)20(14)5/h6-9,18H,10H2,1-5H3.
What are the key properties of 1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine?
1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine has a molecular weight of 336.28 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-5-(4-tert-butylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84610824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).