(5S)-1-imidazol-1-yldecan-5-ol

C13H24N2O — CID 118890121

IUPAC(5S)-1-imidazol-1-yldecan-5-ol
SMILESCCCCC[C@H](O)CCCCn1ccnc1
InChIInChI=1S/C13H24N2O/c1-2-3-4-7-13(16)8-5-6-10-15-11-9-14-12-15/h9,11-13,16H,2-8,10H2,1H3/t13-/m0/s1
InChIKeySCCCVFVSLILXQG-ZDUSSCGKSA-N
MW224.35 g/mol
LogP2.99
Rot. Bonds9

About (5S)-1-imidazol-1-yldecan-5-ol

(5S)-1-imidazol-1-yldecan-5-ol (PubChem CID 118890121) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (5S)-1-imidazol-1-yldecan-5-ol.

Molecular Properties

Compound Name(5S)-1-imidazol-1-yldecan-5-ol
PubChem CID118890121
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(5S)-1-imidazol-1-yldecan-5-ol
SMILESCCCCC[C@H](O)CCCCn1ccnc1
InChIInChI=1S/C13H24N2O/c1-2-3-4-7-13(16)8-5-6-10-15-11-9-14-12-15/h9,11-13,16H,2-8,10H2,1H3/t13-/m0/s1
InChIKeySCCCVFVSLILXQG-ZDUSSCGKSA-N
XLogP2.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.99
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)-1-imidazol-1-ylnonan-5-ol
CID 118889923
(5R)-10-imidazol-1-yldecan-5-ol
CID 118889895
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520
6-imidazol-1-ylhexan-3-ol
CID 106802503
1-nonylimidazole;hydrobromide
CID 175434544
1-[(5R)-5-methoxydecyl]imidazole
CID 118890185
carbonic acid;1-dodecylimidazole
CID 175596781
fluoroboronic acid;bis(1-pentylimidazole)
CID 173201251
acetic acid;1-decylimidazole
CID 175546754
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
ethyl (2S)-8-imidazol-1-yl-2-methyloctanoate
CID 70551374
methyl dihydrogen phosphite;1-pentylimidazole
CID 174884184

Frequently Asked Questions

What is the IUPAC name of (5S)-1-imidazol-1-yldecan-5-ol?
The IUPAC name of (5S)-1-imidazol-1-yldecan-5-ol (CID 118890121) is (5S)-1-imidazol-1-yldecan-5-ol.
What is the SMILES notation for (5S)-1-imidazol-1-yldecan-5-ol?
The canonical SMILES for (5S)-1-imidazol-1-yldecan-5-ol is CCCCC[C@H](O)CCCCn1ccnc1.
What is the InChIKey of (5S)-1-imidazol-1-yldecan-5-ol?
The InChIKey is SCCCVFVSLILXQG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-3-4-7-13(16)8-5-6-10-15-11-9-14-12-15/h9,11-13,16H,2-8,10H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-1-imidazol-1-yldecan-5-ol?
(5S)-1-imidazol-1-yldecan-5-ol has a molecular weight of 224.35 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-imidazol-1-yldecan-5-ol is sourced from PubChem (CID 118890121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).