[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine

C17H25N3 — CID 95474586

IUPAC[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine
SMILESCC(C)Cc1ccc(-c2nc(C(C)C)[nH]c2CN)cc1
InChIInChI=1S/C17H25N3/c1-11(2)9-13-5-7-14(8-6-13)16-15(10-18)19-17(20-16)12(3)4/h5-8,11-12H,9-10,18H2,1-4H3,(H,19,20)
InChIKeyYLYFXOGUINXAAE-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.86
Rot. Bonds5

About [4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine

[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine (PubChem CID 95474586) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is [4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine
PubChem CID95474586
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine
SMILESCC(C)Cc1ccc(-c2nc(C(C)C)[nH]c2CN)cc1
InChIInChI=1S/C17H25N3/c1-11(2)9-13-5-7-14(8-6-13)16-15(10-18)19-17(20-16)12(3)4/h5-8,11-12H,9-10,18H2,1-4H3,(H,19,20)
InChIKeyYLYFXOGUINXAAE-UHFFFAOYSA-N
XLogP3.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine
CID 82305674
2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)ethanamine
CID 82288554
[4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82284727
3-[4-(4-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]propanoic acid
CID 82306427
2-[4-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]ethanamine
CID 95456243
[5-methyl-3-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methanamine
CID 82478232
3-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)propanoic acid
CID 82300491
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine
CID 65232619
2-methyl-4-[4-(2-methylpropyl)phenyl]-1H-imidazole-5-carboxylic acid
CID 82300512
4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine
CID 70697488
[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 84606541
[4-bromo-1-methyl-5-[4-(2-methylpropyl)phenyl]imidazol-2-yl]methanamine
CID 84605016

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine?
The IUPAC name of [4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine (CID 95474586) is [4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine is CC(C)Cc1ccc(-c2nc(C(C)C)[nH]c2CN)cc1.
What is the InChIKey of [4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine?
The InChIKey is YLYFXOGUINXAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11(2)9-13-5-7-14(8-6-13)16-15(10-18)19-17(20-16)12(3)4/h5-8,11-12H,9-10,18H2,1-4H3,(H,19,20).
What are the key properties of [4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine?
[4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylpropyl)phenyl]-2-propan-2-yl-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 95474586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).