6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol

C16H24N2O — CID 4636

💊View drug profile → oxymetazoline
IUPAC6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
SMILESCc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1
InChIInChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
InChIKeyWYWIFABBXFUGLM-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds2

About 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol

6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol (PubChem CID 4636) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol.

Molecular Properties

Compound Name6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
PubChem CID4636
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
SMILESCc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1
InChIInChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
InChIKeyWYWIFABBXFUGLM-UHFFFAOYSA-N
XLogP2.85
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Oxymetazoline Hydrochloride
CID 66259
2-(5,6-Dihydroxy-1,2,3,4-tetrahydro-1-naphthyl)imidazoline
CID 127572
(5R)-5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 44264601
(S)-5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-naphthalene-1,2-diol
CID 44263962
(5S,6R)-5-(4,5-dihydro-1H-imidazol-2-yl)-6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 44280668
(5S,6R)-5-(4,5-dihydro-1H-imidazol-2-yl)-6-phenyl-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 44280671
(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-8,8-dimethyl-6,7-dihydro-5H-naphthalene-1,2-diol
CID 44280688
(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-7,8-dihydro-6H-naphthalene-1,2-diol
CID 44280704
(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-8,8-diethyl-6,7-dihydro-5H-naphthalene-1,2-diol
CID 44280975
2,6-ditert-butyl-4-(4,5-dihydro-1H-imidazol-2-yl)phenol
CID 136135852
4-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-2-hydroxy-beta,beta,3,5-tetramethyl-benzeneethanol
CID 118753142
(2R)-2-amino-3-[[5-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hydroxy-3-methylphenyl]methylsulfanyl]propanoic acid
CID 118753202

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol?
The IUPAC name of 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol (CID 4636) is 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol.
What is the SMILES notation for 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol?
The canonical SMILES for 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol is Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.
What is the InChIKey of 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol?
The InChIKey is WYWIFABBXFUGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18).
What are the key properties of 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol?
6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol has a molecular weight of 260.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol is sourced from PubChem (CID 4636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).