1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine

C12H14BrN3O — CID 82861144

IUPAC1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cncn1-c1ccc(Br)c(OC)c1
InChIInChI=1S/C12H14BrN3O/c1-14-6-10-7-15-8-16(10)9-3-4-11(13)12(5-9)17-2/h3-5,7-8,14H,6H2,1-2H3
InChIKeyCASRAGUTLIQEOX-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.36
Rot. Bonds4

About 1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine

1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine (PubChem CID 82861144) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine
PubChem CID82861144
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cncn1-c1ccc(Br)c(OC)c1
InChIInChI=1S/C12H14BrN3O/c1-14-6-10-7-15-8-16(10)9-3-4-11(13)12(5-9)17-2/h3-5,7-8,14H,6H2,1-2H3
InChIKeyCASRAGUTLIQEOX-UHFFFAOYSA-N
XLogP2.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine (CID 82861144) is 1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine is CNCc1cncn1-c1ccc(Br)c(OC)c1.
What is the InChIKey of 1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine?
The InChIKey is CASRAGUTLIQEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-14-6-10-7-15-8-16(10)9-3-4-11(13)12(5-9)17-2/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine?
1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine has a molecular weight of 296.17 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 82861144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).