(5R)-1-imidazol-1-ylnonan-5-ol

C12H22N2O — CID 118889923

IUPAC(5R)-1-imidazol-1-ylnonan-5-ol
SMILESCCCC[C@@H](O)CCCCn1ccnc1
InChIInChI=1S/C12H22N2O/c1-2-3-6-12(15)7-4-5-9-14-10-8-13-11-14/h8,10-12,15H,2-7,9H2,1H3/t12-/m1/s1
InChIKeyWOQLWQKQVSLJNM-GFCCVEGCSA-N
MW210.32 g/mol
LogP2.60
Rot. Bonds8

About (5R)-1-imidazol-1-ylnonan-5-ol

(5R)-1-imidazol-1-ylnonan-5-ol (PubChem CID 118889923) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (5R)-1-imidazol-1-ylnonan-5-ol.

Molecular Properties

Compound Name(5R)-1-imidazol-1-ylnonan-5-ol
PubChem CID118889923
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(5R)-1-imidazol-1-ylnonan-5-ol
SMILESCCCC[C@@H](O)CCCCn1ccnc1
InChIInChI=1S/C12H22N2O/c1-2-3-6-12(15)7-4-5-9-14-10-8-13-11-14/h8,10-12,15H,2-7,9H2,1H3/t12-/m1/s1
InChIKeyWOQLWQKQVSLJNM-GFCCVEGCSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5R)-10-imidazol-1-yldecan-5-ol
CID 118889895
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
6-imidazol-1-ylhexan-3-ol
CID 106802503
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520
1-[(5R)-5-methoxydecyl]imidazole
CID 118890185
1-nonylimidazole;hydrobromide
CID 175434544
carbonic acid;1-dodecylimidazole
CID 175596781
ethyl (2S)-8-imidazol-1-yl-2-methyloctanoate
CID 70551374
sodium;1-butylimidazole;bromide
CID 175480877
fluoroboronic acid;bis(1-pentylimidazole)
CID 173201251
acetic acid;1-decylimidazole
CID 175546754
1-(7-methyloctyl)imidazole
CID 59001100

Frequently Asked Questions

What is the IUPAC name of (5R)-1-imidazol-1-ylnonan-5-ol?
The IUPAC name of (5R)-1-imidazol-1-ylnonan-5-ol (CID 118889923) is (5R)-1-imidazol-1-ylnonan-5-ol.
What is the SMILES notation for (5R)-1-imidazol-1-ylnonan-5-ol?
The canonical SMILES for (5R)-1-imidazol-1-ylnonan-5-ol is CCCC[C@@H](O)CCCCn1ccnc1.
What is the InChIKey of (5R)-1-imidazol-1-ylnonan-5-ol?
The InChIKey is WOQLWQKQVSLJNM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-6-12(15)7-4-5-9-14-10-8-13-11-14/h8,10-12,15H,2-7,9H2,1H3/t12-/m1/s1.
What are the key properties of (5R)-1-imidazol-1-ylnonan-5-ol?
(5R)-1-imidazol-1-ylnonan-5-ol has a molecular weight of 210.32 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-imidazol-1-ylnonan-5-ol is sourced from PubChem (CID 118889923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).