3-(1H-imidazol-2-ylmethyl)undecan-5-ol

C15H28N2O — CID 161238769

IUPAC3-(1H-imidazol-2-ylmethyl)undecan-5-ol
SMILESCCCCCCC(O)CC(CC)Cc1ncc[nH]1
InChIInChI=1S/C15H28N2O/c1-3-5-6-7-8-14(18)11-13(4-2)12-15-16-9-10-17-15/h9-10,13-14,18H,3-8,11-12H2,1-2H3,(H,16,17)
InChIKeyUZSJKYIKPHVBAC-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.70
Rot. Bonds10

About 3-(1H-imidazol-2-ylmethyl)undecan-5-ol

3-(1H-imidazol-2-ylmethyl)undecan-5-ol (PubChem CID 161238769) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylmethyl)undecan-5-ol.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylmethyl)undecan-5-ol
PubChem CID161238769
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-(1H-imidazol-2-ylmethyl)undecan-5-ol
SMILESCCCCCCC(O)CC(CC)Cc1ncc[nH]1
InChIInChI=1S/C15H28N2O/c1-3-5-6-7-8-14(18)11-13(4-2)12-15-16-9-10-17-15/h9-10,13-14,18H,3-8,11-12H2,1-2H3,(H,16,17)
InChIKeyUZSJKYIKPHVBAC-UHFFFAOYSA-N
XLogP3.70
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[bis(2-ethylhexyl)amino]-3-(1H-imidazol-2-yl)propan-2-ol
CID 20545529
2-(3-pentylnonyl)-1H-imidazole
CID 130279651
2-ethyldecane-1,4-diol
CID 90936886
N-ethyl-1-(1H-imidazol-2-yl)octan-2-amine
CID 114752420
2-[(Z)-2-methyloctadec-9-enyl]-1H-imidazole
CID 67736458
2-dodecyl-1H-imidazole
CID 22019838
2-octyl-1H-imidazole
CID 18347297
2-octadecyl-1H-imidazole
CID 54221067
9-hexylheptadecan-7-ol
CID 19871685
2-hexadecyl-1H-imidazole;hydrobromide
CID 175342933
2-hexyldecane-1,4-diol
CID 54102250
3-[(2-ethyl-4-hydroxyheptadecoxy)methyl]octadecan-5-ol
CID 87709168

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylmethyl)undecan-5-ol?
The IUPAC name of 3-(1H-imidazol-2-ylmethyl)undecan-5-ol (CID 161238769) is 3-(1H-imidazol-2-ylmethyl)undecan-5-ol.
What is the SMILES notation for 3-(1H-imidazol-2-ylmethyl)undecan-5-ol?
The canonical SMILES for 3-(1H-imidazol-2-ylmethyl)undecan-5-ol is CCCCCCC(O)CC(CC)Cc1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-2-ylmethyl)undecan-5-ol?
The InChIKey is UZSJKYIKPHVBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-5-6-7-8-14(18)11-13(4-2)12-15-16-9-10-17-15/h9-10,13-14,18H,3-8,11-12H2,1-2H3,(H,16,17).
What are the key properties of 3-(1H-imidazol-2-ylmethyl)undecan-5-ol?
3-(1H-imidazol-2-ylmethyl)undecan-5-ol has a molecular weight of 252.40 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylmethyl)undecan-5-ol is sourced from PubChem (CID 161238769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).