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

C14H22N2O — CID 18635615

IUPAC[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol
SMILESOCc1cncn1[C@@H]1CCC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C14H22N2O/c17-9-12-8-15-10-16(12)14-7-3-5-11-4-1-2-6-13(11)14/h8,10-11,13-14,17H,1-7,9H2/t11-,13+,14-/m1/s1
InChIKeyVZCSKDZBGFZILM-KWCYVHTRSA-N
MW234.34 g/mol
LogP2.91
Rot. Bonds2

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

[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol (PubChem CID 18635615) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol
PubChem CID18635615
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol
SMILESOCc1cncn1[C@@H]1CCC[C@H]2CCCC[C@@H]21
InChIInChI=1S/C14H22N2O/c17-9-12-8-15-10-16(12)14-7-3-5-11-4-1-2-6-13(11)14/h8,10-11,13-14,17H,1-7,9H2/t11-,13+,14-/m1/s1
InChIKeyVZCSKDZBGFZILM-KWCYVHTRSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol?
The IUPAC name of [3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol (CID 18635615) is [3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol is OCc1cncn1[C@@H]1CCC[C@H]2CCCC[C@@H]21.
What is the InChIKey of [3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol?
The InChIKey is VZCSKDZBGFZILM-KWCYVHTRSA-N. The full InChI is InChI=1S/C14H22N2O/c17-9-12-8-15-10-16(12)14-7-3-5-11-4-1-2-6-13(11)14/h8,10-11,13-14,17H,1-7,9H2/t11-,13+,14-/m1/s1.
What are the key properties of [3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol?
[3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]imidazol-4-yl]methanol is sourced from PubChem (CID 18635615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).