[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine

C14H16BrN3O2 — CID 116882722

IUPAC[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
SMILESCOc1ccc(Br)cc1-c1cnc(C2(CN)COC2)[nH]1
InChIInChI=1S/C14H16BrN3O2/c1-19-12-3-2-9(15)4-10(12)11-5-17-13(18-11)14(6-16)7-20-8-14/h2-5H,6-8,16H2,1H3,(H,17,18)
InChIKeyDHNMACQOFXKDEP-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.07
Rot. Bonds4

About [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine

[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine (PubChem CID 116882722) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
PubChem CID116882722
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
SMILESCOc1ccc(Br)cc1-c1cnc(C2(CN)COC2)[nH]1
InChIInChI=1S/C14H16BrN3O2/c1-19-12-3-2-9(15)4-10(12)11-5-17-13(18-11)14(6-16)7-20-8-14/h2-5H,6-8,16H2,1H3,(H,17,18)
InChIKeyDHNMACQOFXKDEP-UHFFFAOYSA-N
XLogP2.07
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882670
[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 82307343
[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882710
[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882734
[3-(5-pyridin-4-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882740
[3-[5-(1-benzofuran-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882744
5-(5-bromo-2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 116877631
[3-(5-pyridin-2-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882738
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882865
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882580
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882665
2-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882773

Frequently Asked Questions

What is the IUPAC name of [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine (CID 116882722) is [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine is COc1ccc(Br)cc1-c1cnc(C2(CN)COC2)[nH]1.
What is the InChIKey of [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
The InChIKey is DHNMACQOFXKDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-19-12-3-2-9(15)4-10(12)11-5-17-13(18-11)14(6-16)7-20-8-14/h2-5H,6-8,16H2,1H3,(H,17,18).
What are the key properties of [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine?
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine has a molecular weight of 338.21 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine is sourced from PubChem (CID 116882722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).