1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol

C15H24N2O — CID 18635616

IUPAC1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol
SMILESCC(O)c1cncn1[C@@H]1CCC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C15H24N2O/c1-11(18)15-9-16-10-17(15)14-8-4-6-12-5-2-3-7-13(12)14/h9-14,18H,2-8H2,1H3/t11?,12-,13+,14-/m1/s1
InChIKeyJPAIVNQWRCZGEU-WTUNAVPPSA-N
MW248.37 g/mol
LogP3.47
Rot. Bonds2

About 1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol

1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol (PubChem CID 18635616) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol
PubChem CID18635616
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol
SMILESCC(O)c1cncn1[C@@H]1CCC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C15H24N2O/c1-11(18)15-9-16-10-17(15)14-8-4-6-12-5-2-3-7-13(12)14/h9-14,18H,2-8H2,1H3/t11?,12-,13+,14-/m1/s1
InChIKeyJPAIVNQWRCZGEU-WTUNAVPPSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol?
The IUPAC name of 1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol (CID 18635616) is 1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol.
What is the SMILES notation for 1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol?
The canonical SMILES for 1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol is CC(O)c1cncn1[C@@H]1CCC[C@H]2CCCC[C@@H]21.
What is the InChIKey of 1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol?
The InChIKey is JPAIVNQWRCZGEU-WTUNAVPPSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(18)15-9-16-10-17(15)14-8-4-6-12-5-2-3-7-13(12)14/h9-14,18H,2-8H2,1H3/t11?,12-,13+,14-/m1/s1.
What are the key properties of 1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol?
1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol has a molecular weight of 248.37 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]ethanol is sourced from PubChem (CID 18635616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).