[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine

C12H14FN3O — CID 82291070

IUPAC[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc(C)[nH]c2CN)cc1F
InChIInChI=1S/C12H14FN3O/c1-7-15-10(6-14)12(16-7)8-3-4-11(17-2)9(13)5-8/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyFLHOBRQHBVYWHD-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.99
Rot. Bonds3

About [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine

[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine (PubChem CID 82291070) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
PubChem CID82291070
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc(C)[nH]c2CN)cc1F
InChIInChI=1S/C12H14FN3O/c1-7-15-10(6-14)12(16-7)8-3-4-11(17-2)9(13)5-8/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyFLHOBRQHBVYWHD-UHFFFAOYSA-N
XLogP1.99
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475739
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 82049536
[4-(2,4-dimethoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82302244
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82285806
[4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82284727
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82301560
5-chloro-6-(3-fluoro-4-methoxyphenyl)-3-methyl-1,2,4-triazine
CID 116823316
[2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 84605935
[2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-yl]methanamine
CID 95474904
2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475742
3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine
CID 65096402
3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-methylpyridin-2-amine
CID 157017577

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine?
The IUPAC name of [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine (CID 82291070) is [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine is COc1ccc(-c2nc(C)[nH]c2CN)cc1F.
What is the InChIKey of [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine?
The InChIKey is FLHOBRQHBVYWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7-15-10(6-14)12(16-7)8-3-4-11(17-2)9(13)5-8/h3-5H,6,14H2,1-2H3,(H,15,16).
What are the key properties of [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine?
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine has a molecular weight of 235.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 82291070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).