2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine

C15H21N3O — CID 116879058

IUPAC2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1ncc(-c2ccc(OC)c(C)c2)[nH]1
InChIInChI=1S/C15H21N3O/c1-10-8-11(6-7-13(10)19-5)12-9-17-14(18-12)15(2,3)16-4/h6-9,16H,1-5H3,(H,17,18)
InChIKeyXTLXDCULBNHGPR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.85
Rot. Bonds4

About 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine

2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine (PubChem CID 116879058) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
PubChem CID116879058
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1ncc(-c2ccc(OC)c(C)c2)[nH]1
InChIInChI=1S/C15H21N3O/c1-10-8-11(6-7-13(10)19-5)12-9-17-14(18-12)15(2,3)16-4/h6-9,16H,1-5H3,(H,17,18)
InChIKeyXTLXDCULBNHGPR-UHFFFAOYSA-N
XLogP2.85
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
CID 116879061
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 116883439
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine
CID 95474427
1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 116828251
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880882
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
CID 116882236
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
CID 116879409
4,5-bis(4-methoxy-3-methylphenyl)-1,3-dihydroimidazole-2-thione
CID 23464758
2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
CID 116880587

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine (CID 116879058) is 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine is CNC(C)(C)c1ncc(-c2ccc(OC)c(C)c2)[nH]1.
What is the InChIKey of 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine?
The InChIKey is XTLXDCULBNHGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-8-11(6-7-13(10)19-5)12-9-17-14(18-12)15(2,3)16-4/h6-9,16H,1-5H3,(H,17,18).
What are the key properties of 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine?
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116879058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).