2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole

C15H24N2 — CID 174735067

IUPAC2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole
SMILESCC1CCC2C(c3ncc[nH]3)CCCC2C1C
InChIInChI=1S/C15H24N2/c1-10-6-7-13-12(11(10)2)4-3-5-14(13)15-16-8-9-17-15/h8-14H,3-7H2,1-2H3,(H,16,17)
InChIKeyQPLNCCYNTGDYIN-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.98
Rot. Bonds1

About 2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole

2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole (PubChem CID 174735067) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole
PubChem CID174735067
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole
SMILESCC1CCC2C(c3ncc[nH]3)CCCC2C1C
InChIInChI=1S/C15H24N2/c1-10-6-7-13-12(11(10)2)4-3-5-14(13)15-16-8-9-17-15/h8-14H,3-7H2,1-2H3,(H,16,17)
InChIKeyQPLNCCYNTGDYIN-UHFFFAOYSA-N
XLogP3.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole?
The IUPAC name of 2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole (CID 174735067) is 2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole.
What is the SMILES notation for 2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole?
The canonical SMILES for 2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole is CC1CCC2C(c3ncc[nH]3)CCCC2C1C.
What is the InChIKey of 2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole?
The InChIKey is QPLNCCYNTGDYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-6-7-13-12(11(10)2)4-3-5-14(13)15-16-8-9-17-15/h8-14H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole?
2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole has a molecular weight of 232.37 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1H-imidazole is sourced from PubChem (CID 174735067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).