2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole

C15H16N2 — CID 13491484

IUPAC2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
SMILESCC1=C(Cc2ncc[nH]2)CCc2ccccc21
InChIInChI=1S/C15H16N2/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12/h2-5,8-9H,6-7,10H2,1H3,(H,16,17)
InChIKeyZDEZZEXVRHVGGC-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.37
Rot. Bonds2

About 2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole

2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole (PubChem CID 13491484) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
PubChem CID13491484
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
SMILESCC1=C(Cc2ncc[nH]2)CCc2ccccc21
InChIInChI=1S/C15H16N2/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12/h2-5,8-9H,6-7,10H2,1H3,(H,16,17)
InChIKeyZDEZZEXVRHVGGC-UHFFFAOYSA-N
XLogP3.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole?
The IUPAC name of 2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole (CID 13491484) is 2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole is CC1=C(Cc2ncc[nH]2)CCc2ccccc21.
What is the InChIKey of 2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole?
The InChIKey is ZDEZZEXVRHVGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-11-13(10-15-16-8-9-17-15)7-6-12-4-2-3-5-14(11)12/h2-5,8-9H,6-7,10H2,1H3,(H,16,17).
What are the key properties of 2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole?
2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole has a molecular weight of 224.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole is sourced from PubChem (CID 13491484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).