2-imidazol-1-yltridecan-2-ol

C16H30N2O — CID 87316839

IUPAC2-imidazol-1-yltridecan-2-ol
SMILESCCCCCCCCCCCC(C)(O)n1ccnc1
InChIInChI=1S/C16H30N2O/c1-3-4-5-6-7-8-9-10-11-12-16(2,19)18-14-13-17-15-18/h13-15,19H,3-12H2,1-2H3
InChIKeyDGNMDAGDVOGZOZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.47
Rot. Bonds11

About 2-imidazol-1-yltridecan-2-ol

2-imidazol-1-yltridecan-2-ol (PubChem CID 87316839) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-imidazol-1-yltridecan-2-ol.

Molecular Properties

Compound Name2-imidazol-1-yltridecan-2-ol
PubChem CID87316839
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-imidazol-1-yltridecan-2-ol
SMILESCCCCCCCCCCCC(C)(O)n1ccnc1
InChIInChI=1S/C16H30N2O/c1-3-4-5-6-7-8-9-10-11-12-16(2,19)18-14-13-17-15-18/h13-15,19H,3-12H2,1-2H3
InChIKeyDGNMDAGDVOGZOZ-UHFFFAOYSA-N
XLogP4.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.47
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

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2-imidazol-1-ylpropan-2-ol
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2-imidazol-1-ylpent-4-en-2-ol
CID 67436912
1-(4-butyl-3-methyldocosan-3-yl)imidazole
CID 69391247
1-(4-ethyloctan-4-yl)imidazole
CID 57179751
carbonic acid;1-dodecylimidazole
CID 175596781
(3-imidazol-1-yl-2,2-dimethylheptan-3-yl) carbamate
CID 175520912
hexadecane;1-iodoimidazole
CID 174619636
1-ethylimidazole;octane
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acetic acid;1-decylimidazole
CID 175546754

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yltridecan-2-ol?
The IUPAC name of 2-imidazol-1-yltridecan-2-ol (CID 87316839) is 2-imidazol-1-yltridecan-2-ol.
What is the SMILES notation for 2-imidazol-1-yltridecan-2-ol?
The canonical SMILES for 2-imidazol-1-yltridecan-2-ol is CCCCCCCCCCCC(C)(O)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yltridecan-2-ol?
The InChIKey is DGNMDAGDVOGZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-4-5-6-7-8-9-10-11-12-16(2,19)18-14-13-17-15-18/h13-15,19H,3-12H2,1-2H3.
What are the key properties of 2-imidazol-1-yltridecan-2-ol?
2-imidazol-1-yltridecan-2-ol has a molecular weight of 266.43 g/mol, XLogP of 4.47, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yltridecan-2-ol is sourced from PubChem (CID 87316839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).