1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol

C13H22N2O — CID 139383776

IUPAC1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol
SMILESCc1cnc(C2(O)CCCCCCCC2)[nH]1
InChIInChI=1S/C13H22N2O/c1-11-10-14-12(15-11)13(16)8-6-4-2-3-5-7-9-13/h10,16H,2-9H2,1H3,(H,14,15)
InChIKeyWICBGNMMQXYDEY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.04
Rot. Bonds1

About 1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol

1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol (PubChem CID 139383776) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol.

Molecular Properties

Compound Name1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol
PubChem CID139383776
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol
SMILESCc1cnc(C2(O)CCCCCCCC2)[nH]1
InChIInChI=1S/C13H22N2O/c1-11-10-14-12(15-11)13(16)8-6-4-2-3-5-7-9-13/h10,16H,2-9H2,1H3,(H,14,15)
InChIKeyWICBGNMMQXYDEY-UHFFFAOYSA-N
XLogP3.04
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol?
The IUPAC name of 1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol (CID 139383776) is 1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol.
What is the SMILES notation for 1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol?
The canonical SMILES for 1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol is Cc1cnc(C2(O)CCCCCCCC2)[nH]1.
What is the InChIKey of 1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol?
The InChIKey is WICBGNMMQXYDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-10-14-12(15-11)13(16)8-6-4-2-3-5-7-9-13/h10,16H,2-9H2,1H3,(H,14,15).
What are the key properties of 1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol?
1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-imidazol-2-yl)cyclononan-1-ol is sourced from PubChem (CID 139383776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).