1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine

C15H21N3O — CID 95466155

IUPAC1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2ccc(OC)c(C(C)C)c2)[nH]1
InChIInChI=1S/C15H21N3O/c1-10(2)12-7-11(5-6-14(12)19-4)13-8-17-15(18-13)9-16-3/h5-8,10,16H,9H2,1-4H3,(H,17,18)
InChIKeyIMULLROXWLEIHK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.93
Rot. Bonds5

About 1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine

1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine (PubChem CID 95466155) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
PubChem CID95466155
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2ccc(OC)c(C(C)C)c2)[nH]1
InChIInChI=1S/C15H21N3O/c1-10(2)12-7-11(5-6-14(12)19-4)13-8-17-15(18-13)9-16-3/h5-8,10,16H,9H2,1-4H3,(H,17,18)
InChIKeyIMULLROXWLEIHK-UHFFFAOYSA-N
XLogP2.93
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95475764
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
5-(4-methoxy-3-propan-2-ylphenyl)-N-methylpyrimidin-2-amine
CID 116976965
5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole
CID 82078805
N-[[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-2-methoxyethanamine
CID 63956925
5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
CID 115030164
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651418
[5-(3-ethyl-4-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878283
N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine (CID 95466155) is 1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine is CNCc1ncc(-c2ccc(OC)c(C(C)C)c2)[nH]1.
What is the InChIKey of 1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
The InChIKey is IMULLROXWLEIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)12-7-11(5-6-14(12)19-4)13-8-17-15(18-13)9-16-3/h5-8,10,16H,9H2,1-4H3,(H,17,18).
What are the key properties of 1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 95466155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).