2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol

C15H20N2O — CID 155660192

IUPAC2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol
SMILESCCCCc1nc(-c2cc(C)ccc2O)[nH]c1C
InChIInChI=1S/C15H20N2O/c1-4-5-6-13-11(3)16-15(17-13)12-9-10(2)7-8-14(12)18/h7-9,18H,4-6H2,1-3H3,(H,16,17)
InChIKeyGJOKFYQNBHGAPI-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol

2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol (PubChem CID 155660192) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol
PubChem CID155660192
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol
SMILESCCCCc1nc(-c2cc(C)ccc2O)[nH]c1C
InChIInChI=1S/C15H20N2O/c1-4-5-6-13-11(3)16-15(17-13)12-9-10(2)7-8-14(12)18/h7-9,18H,4-6H2,1-3H3,(H,16,17)
InChIKeyGJOKFYQNBHGAPI-UHFFFAOYSA-N
XLogP3.74
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol?
The IUPAC name of 2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol (CID 155660192) is 2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol.
What is the SMILES notation for 2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol?
The canonical SMILES for 2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol is CCCCc1nc(-c2cc(C)ccc2O)[nH]c1C.
What is the InChIKey of 2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol?
The InChIKey is GJOKFYQNBHGAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-5-6-13-11(3)16-15(17-13)12-9-10(2)7-8-14(12)18/h7-9,18H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol?
2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol has a molecular weight of 244.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-5-methyl-1H-imidazol-2-yl)-4-methylphenol is sourced from PubChem (CID 155660192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).