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

C15H20N2 — CID 143711060

IUPAC5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole
SMILESCC1C=CC2=C(CCC(Cc3cnc[nH]3)C2)C1
InChIInChI=1S/C15H20N2/c1-11-2-4-14-7-12(3-5-13(14)6-11)8-15-9-16-10-17-15/h2,4,9-12H,3,5-8H2,1H3,(H,16,17)
InChIKeyAXQUQEGPXFMDSL-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.64
Rot. Bonds2

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

5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole (PubChem CID 143711060) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole
PubChem CID143711060
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole
SMILESCC1C=CC2=C(CCC(Cc3cnc[nH]3)C2)C1
InChIInChI=1S/C15H20N2/c1-11-2-4-14-7-12(3-5-13(14)6-11)8-15-9-16-10-17-15/h2,4,9-12H,3,5-8H2,1H3,(H,16,17)
InChIKeyAXQUQEGPXFMDSL-UHFFFAOYSA-N
XLogP3.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 58975260
5-[(4-methylcyclohex-3-en-1-yl)methyl]-1H-imidazole
CID 20711765
5-[(3-ethylcyclohex-3-en-1-yl)methyl]-1H-imidazole
CID 118055412
4-(1H-imidazol-5-ylmethyl)piperidine
CID 3035842
5-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]-1H-imidazole
CID 59976346
1-ethyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11164099
(3R)-3-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 169426845
5-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-ylmethyl)-1H-imidazole;hydrochloride
CID 162333788
5-[[(1S)-3-cyclopropylcyclohex-2-en-1-yl]methyl]-1H-imidazole
CID 129362256
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine;dihydrobromide
CID 11210868
5-[(3-cyclobutylcyclohex-2-en-1-yl)methyl]-1H-imidazole;molecular hydrogen
CID 142171949
5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole
CID 142171931

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole?
The IUPAC name of 5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole (CID 143711060) is 5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole is CC1C=CC2=C(CCC(Cc3cnc[nH]3)C2)C1.
What is the InChIKey of 5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole?
The InChIKey is AXQUQEGPXFMDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-2-4-14-7-12(3-5-13(14)6-11)8-15-9-16-10-17-15/h2,4,9-12H,3,5-8H2,1H3,(H,16,17).
What are the key properties of 5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole?
5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole has a molecular weight of 228.34 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl)methyl]-1H-imidazole is sourced from PubChem (CID 143711060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).