[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine

C15H19N3O — CID 116882710

IUPAC[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
SMILESCc1ccc(-c2cnc(C3(CN)COC3)[nH]2)cc1C
InChIInChI=1S/C15H19N3O/c1-10-3-4-12(5-11(10)2)13-6-17-14(18-13)15(7-16)8-19-9-15/h3-6H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyYEJKQVDQQQCKQB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.92
Rot. Bonds3

About [3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine

[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine (PubChem CID 116882710) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
PubChem CID116882710
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
SMILESCc1ccc(-c2cnc(C3(CN)COC3)[nH]2)cc1C
InChIInChI=1S/C15H19N3O/c1-10-3-4-12(5-11(10)2)13-6-17-14(18-13)15(7-16)8-19-9-15/h3-6H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyYEJKQVDQQQCKQB-UHFFFAOYSA-N
XLogP1.92
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882734
[3-(5-phenyl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882707
[3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882740
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882722
[3-(5-pyridin-2-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882738
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881844
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882665
[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882744
[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882683
[1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882008
[1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882103
[1-[5-(1,3-benzoxazol-6-yl)-1H-imidazol-2-yl]cyclobutyl]methanamine
CID 116882317

Frequently Asked Questions

What is the IUPAC name of [3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine (CID 116882710) is [3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine is Cc1ccc(-c2cnc(C3(CN)COC3)[nH]2)cc1C.
What is the InChIKey of [3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
The InChIKey is YEJKQVDQQQCKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-3-4-12(5-11(10)2)13-6-17-14(18-13)15(7-16)8-19-9-15/h3-6H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of [3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine is sourced from PubChem (CID 116882710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).