1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine

C16H22BrN3 — CID 84610844

IUPAC1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cc(C(C)C)ccc2C)c(Br)n1C
InChIInChI=1S/C16H22BrN3/c1-10(2)12-7-6-11(3)13(8-12)15-16(17)20(5)14(19-15)9-18-4/h6-8,10,18H,9H2,1-5H3
InChIKeyFHTJXGZQRCOIDG-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.00
Rot. Bonds4

About 1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine

1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine (PubChem CID 84610844) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine
PubChem CID84610844
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cc(C(C)C)ccc2C)c(Br)n1C
InChIInChI=1S/C16H22BrN3/c1-10(2)12-7-6-11(3)13(8-12)15-16(17)20(5)14(19-15)9-18-4/h6-8,10,18H,9H2,1-5H3
InChIKeyFHTJXGZQRCOIDG-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine (CID 84610844) is 1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine is CNCc1nc(-c2cc(C(C)C)ccc2C)c(Br)n1C.
What is the InChIKey of 1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine?
The InChIKey is FHTJXGZQRCOIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-10(2)12-7-6-11(3)13(8-12)15-16(17)20(5)14(19-15)9-18-4/h6-8,10,18H,9H2,1-5H3.
What are the key properties of 1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine?
1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine has a molecular weight of 336.28 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-1-methyl-4-(2-methyl-5-propan-2-ylphenyl)imidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84610844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).