2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole

C15H20N2O — CID 126500062

IUPAC2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole
SMILESCOc1c(-c2ncc(C)[nH]2)cccc1C(C)(C)C
InChIInChI=1S/C15H20N2O/c1-10-9-16-14(17-10)11-7-6-8-12(13(11)18-5)15(2,3)4/h6-9H,1-5H3,(H,16,17)
InChIKeyORVKPTUXGXUIFX-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.69
Rot. Bonds2

About 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole

2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole (PubChem CID 126500062) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole
PubChem CID126500062
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole
SMILESCOc1c(-c2ncc(C)[nH]2)cccc1C(C)(C)C
InChIInChI=1S/C15H20N2O/c1-10-9-16-14(17-10)11-7-6-8-12(13(11)18-5)15(2,3)4/h6-9H,1-5H3,(H,16,17)
InChIKeyORVKPTUXGXUIFX-UHFFFAOYSA-N
XLogP3.69
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
2-(4-(4-(Trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
CID 65459349
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-N-methyl-
CID 3074846
(+)-2-Hydroxy-3-(1-(1H-imidazol-4-yl)ethyl)benzenecarboximidamide hydrate
CID 3074849
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-N-(1-methylethyl)-, hydrate
CID 3074850
2-(2-Methoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 74782
(2S)-6-ethyl-N-[(1S)-1-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162671564
(4-tert-Butyl-3-methoxy-2,6-dimethyl-phenyl)-(1H-imidazol-2-yl)-amine
CID 9795515
4-[2-tert-butyl-4-(6-methoxy-2-naphthyl)-1H-imidazol-5-yl]pyridine
CID 9820123
2-(2-Butoxy-phenyl)-3H-imidazo[4,5-b]pyridine
CID 10423102

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole?
The IUPAC name of 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole (CID 126500062) is 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole.
What is the SMILES notation for 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole?
The canonical SMILES for 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole is COc1c(-c2ncc(C)[nH]2)cccc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole?
The InChIKey is ORVKPTUXGXUIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-9-16-14(17-10)11-7-6-8-12(13(11)18-5)15(2,3)4/h6-9H,1-5H3,(H,16,17).
What are the key properties of 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole?
2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole has a molecular weight of 244.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-methoxyphenyl)-5-methyl-1H-imidazole is sourced from PubChem (CID 126500062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).