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

C14H18BrN3O — CID 84605935

IUPAC[2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc(Br)[nH]c2CN)cc1C(C)C
InChIInChI=1S/C14H18BrN3O/c1-8(2)10-6-9(4-5-12(10)19-3)13-11(7-16)17-14(15)18-13/h4-6,8H,7,16H2,1-3H3,(H,17,18)
InChIKeyQYOIRRZBXCSFRY-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.43
Rot. Bonds4

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

[2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine (PubChem CID 84605935) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is [2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
PubChem CID84605935
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name[2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
SMILESCOc1ccc(-c2nc(Br)[nH]c2CN)cc1C(C)C
InChIInChI=1S/C14H18BrN3O/c1-8(2)10-6-9(4-5-12(10)19-3)13-11(7-16)17-14(15)18-13/h4-6,8H,7,16H2,1-3H3,(H,17,18)
InChIKeyQYOIRRZBXCSFRY-UHFFFAOYSA-N
XLogP3.43
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine
CID 84605964
[4-bromo-2-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 84605901
2-[4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475739
2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 84608942
[4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine
CID 84611620
1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84608935
[5-bromo-2-(4-methoxy-3-propan-2-ylphenyl)-3-methylimidazol-4-yl]methanamine
CID 84611572
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82291070
3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82118332
[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82484172
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-5-amine
CID 82483013
4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 94699090

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine (CID 84605935) is [2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine is COc1ccc(-c2nc(Br)[nH]c2CN)cc1C(C)C.
What is the InChIKey of [2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is QYOIRRZBXCSFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-8(2)10-6-9(4-5-12(10)19-3)13-11(7-16)17-14(15)18-13/h4-6,8H,7,16H2,1-3H3,(H,17,18).
What are the key properties of [2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine?
[2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 324.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 84605935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).