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

C16H24N2 — CID 101475432

IUPAC1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole
SMILESCc1c(C)c(C)c(CN2C=CN(C)C2)c(C)c1C
InChIInChI=1S/C16H24N2/c1-11-12(2)14(4)16(15(5)13(11)3)9-18-8-7-17(6)10-18/h7-8H,9-10H2,1-6H3
InChIKeyJWEYIVAOYSTJKV-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.40
Rot. Bonds2

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

1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole (PubChem CID 101475432) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole
PubChem CID101475432
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole
SMILESCc1c(C)c(C)c(CN2C=CN(C)C2)c(C)c1C
InChIInChI=1S/C16H24N2/c1-11-12(2)14(4)16(15(5)13(11)3)9-18-8-7-17(6)10-18/h7-8H,9-10H2,1-6H3
InChIKeyJWEYIVAOYSTJKV-UHFFFAOYSA-N
XLogP3.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole?
The IUPAC name of 1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole (CID 101475432) is 1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole.
What is the SMILES notation for 1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole?
The canonical SMILES for 1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole is Cc1c(C)c(C)c(CN2C=CN(C)C2)c(C)c1C.
What is the InChIKey of 1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole?
The InChIKey is JWEYIVAOYSTJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-12(2)14(4)16(15(5)13(11)3)9-18-8-7-17(6)10-18/h7-8H,9-10H2,1-6H3.
What are the key properties of 1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole?
1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole has a molecular weight of 244.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-2H-imidazole is sourced from PubChem (CID 101475432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).