1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole

C15H20N2 — CID 53322953

IUPAC1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole
SMILESCc1c(C)c(C)c(Cn2ccnc2)c(C)c1C
InChIInChI=1S/C15H20N2/c1-10-11(2)13(4)15(14(5)12(10)3)8-17-7-6-16-9-17/h6-7,9H,8H2,1-5H3
InChIKeyJMPKHUBEEDGVQY-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.47
Rot. Bonds2

About 1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole

1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole (PubChem CID 53322953) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole
PubChem CID53322953
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole
SMILESCc1c(C)c(C)c(Cn2ccnc2)c(C)c1C
InChIInChI=1S/C15H20N2/c1-10-11(2)13(4)15(14(5)12(10)3)8-17-7-6-16-9-17/h6-7,9H,8H2,1-5H3
InChIKeyJMPKHUBEEDGVQY-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
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1-[(1-methylnaphthalen-2-yl)methyl]imidazole
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5-(imidazol-1-ylmethyl)-4-methyl-1,3-thiazole
CID 130892014
3-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazole
CID 78990437
copper;1-ethylimidazole
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1-ethylimidazole;hydroiodide
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CID 123643271

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole?
The IUPAC name of 1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole (CID 53322953) is 1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole.
What is the SMILES notation for 1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole?
The canonical SMILES for 1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole is Cc1c(C)c(C)c(Cn2ccnc2)c(C)c1C.
What is the InChIKey of 1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole?
The InChIKey is JMPKHUBEEDGVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-11(2)13(4)15(14(5)12(10)3)8-17-7-6-16-9-17/h6-7,9H,8H2,1-5H3.
What are the key properties of 1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole?
1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole has a molecular weight of 228.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,4,5,6-pentamethylphenyl)methyl]imidazole is sourced from PubChem (CID 53322953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).