3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol

C16H32N2O — CID 67821023

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol
SMILESCCCCCCCCCCC(C1=NCCN1)C(C)O
InChIInChI=1S/C16H32N2O/c1-3-4-5-6-7-8-9-10-11-15(14(2)19)16-17-12-13-18-16/h14-15,19H,3-13H2,1-2H3,(H,17,18)
InChIKeyRQAFDFCAXWODJX-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.52
Rot. Bonds11

About 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol

3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol (PubChem CID 67821023) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol
PubChem CID67821023
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol
SMILESCCCCCCCCCCC(C1=NCCN1)C(C)O
InChIInChI=1S/C16H32N2O/c1-3-4-5-6-7-8-9-10-11-15(14(2)19)16-17-12-13-18-16/h14-15,19H,3-13H2,1-2H3,(H,17,18)
InChIKeyRQAFDFCAXWODJX-UHFFFAOYSA-N
XLogP3.52
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tridecan-3-yl-4,5-dihydro-1H-imidazole
CID 22280920
2-(1-ethoxyheptadecyl)-4,5-dihydro-1H-imidazole
CID 174291982
N-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-methylicos-11-en-2-yl]octadec-9-enamide
CID 56633350
1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylicosan-1-amine
CID 67644181
2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole
CID 150338397
15-(aminomethyl)-17-(4,5-dihydro-1H-imidazol-2-yl)nonacosan-14-one
CID 67804414
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol
CID 89315148
3-(dimethylamino)decan-2-ol
CID 87744632
(2R,3S)-dodecane-2,3-diol
CID 163394646
2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 66957865
1-[2-hydroxyhexadecyl(methyl)amino]hexadecan-2-ol
CID 139658623

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol (CID 67821023) is 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol is CCCCCCCCCCC(C1=NCCN1)C(C)O.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol?
The InChIKey is RQAFDFCAXWODJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-4-5-6-7-8-9-10-11-15(14(2)19)16-17-12-13-18-16/h14-15,19H,3-13H2,1-2H3,(H,17,18).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol?
3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 3.52, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)tridecan-2-ol is sourced from PubChem (CID 67821023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).