2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole

C15H20N2 — CID 70557696

IUPAC2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole
SMILESCc1cnc(CCCc2cccc(C)c2C)[nH]1
InChIInChI=1S/C15H20N2/c1-11-6-4-7-14(13(11)3)8-5-9-15-16-10-12(2)17-15/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,17)
InChIKeyQBBKPXVEOBMQLU-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.51
Rot. Bonds4

About 2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole

2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole (PubChem CID 70557696) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole
PubChem CID70557696
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole
SMILESCc1cnc(CCCc2cccc(C)c2C)[nH]1
InChIInChI=1S/C15H20N2/c1-11-6-4-7-14(13(11)3)8-5-9-15-16-10-12(2)17-15/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,17)
InChIKeyQBBKPXVEOBMQLU-UHFFFAOYSA-N
XLogP3.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole?
The IUPAC name of 2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole (CID 70557696) is 2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole.
What is the SMILES notation for 2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole?
The canonical SMILES for 2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole is Cc1cnc(CCCc2cccc(C)c2C)[nH]1.
What is the InChIKey of 2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole?
The InChIKey is QBBKPXVEOBMQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-6-4-7-14(13(11)3)8-5-9-15-16-10-12(2)17-15/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole?
2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole has a molecular weight of 228.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole is sourced from PubChem (CID 70557696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).