1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine

C14H18BrN3O — CID 84606053

IUPAC1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cc(C)c(C)cc2OC)c(Br)[nH]1
InChIInChI=1S/C14H18BrN3O/c1-8-5-10(11(19-4)6-9(8)2)13-14(15)18-12(17-13)7-16-3/h5-6,16H,7H2,1-4H3,(H,17,18)
InChIKeyLYPMIDHGAREBPK-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.18
Rot. Bonds4

About 1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine

1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine (PubChem CID 84606053) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
PubChem CID84606053
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cc(C)c(C)cc2OC)c(Br)[nH]1
InChIInChI=1S/C14H18BrN3O/c1-8-5-10(11(19-4)6-9(8)2)13-14(15)18-12(17-13)7-16-3/h5-6,16H,7H2,1-4H3,(H,17,18)
InChIKeyLYPMIDHGAREBPK-UHFFFAOYSA-N
XLogP3.18
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84605929
2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole
CID 82135463
3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826932
2-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 84611862
2-bromo-5-(2-methoxy-4,5-dimethylphenyl)-1H-imidazole
CID 116884250
1-[5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95475764
2-[5-bromo-4-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 84606396
2-[4-bromo-3-(2-methoxy-4,5-dimethylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 84611874
[4-bromo-3-(2,5-dimethoxy-4-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 84606646
1-(4-methoxy-6-methyl-3-pyridinyl)-N-methylmethanamine
CID 81254703
4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136770031
5-methoxy-4-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 137258015

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine (CID 84606053) is 1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine is CNCc1nc(-c2cc(C)c(C)cc2OC)c(Br)[nH]1.
What is the InChIKey of 1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
The InChIKey is LYPMIDHGAREBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-8-5-10(11(19-4)6-9(8)2)13-14(15)18-12(17-13)7-16-3/h5-6,16H,7H2,1-4H3,(H,17,18).
What are the key properties of 1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine has a molecular weight of 324.22 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84606053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).