10-imidazol-1-yloctadecan-1-ol

C21H40N2O — CID 86691654

IUPAC10-imidazol-1-yloctadecan-1-ol
SMILESCCCCCCCCC(CCCCCCCCCO)n1ccnc1
InChIInChI=1S/C21H40N2O/c1-2-3-4-5-9-12-15-21(23-18-17-22-20-23)16-13-10-7-6-8-11-14-19-24/h17-18,20-21,24H,2-16,19H2,1H3
InChIKeyNBMIGONDZMISLE-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.29
Rot. Bonds17

About 10-imidazol-1-yloctadecan-1-ol

10-imidazol-1-yloctadecan-1-ol (PubChem CID 86691654) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 10-imidazol-1-yloctadecan-1-ol.

Molecular Properties

Compound Name10-imidazol-1-yloctadecan-1-ol
PubChem CID86691654
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name10-imidazol-1-yloctadecan-1-ol
SMILESCCCCCCCCC(CCCCCCCCCO)n1ccnc1
InChIInChI=1S/C21H40N2O/c1-2-3-4-5-9-12-15-21(23-18-17-22-20-23)16-13-10-7-6-8-11-14-19-24/h17-18,20-21,24H,2-16,19H2,1H3
InChIKeyNBMIGONDZMISLE-UHFFFAOYSA-N
XLogP6.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.29
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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Frequently Asked Questions

What is the IUPAC name of 10-imidazol-1-yloctadecan-1-ol?
The IUPAC name of 10-imidazol-1-yloctadecan-1-ol (CID 86691654) is 10-imidazol-1-yloctadecan-1-ol.
What is the SMILES notation for 10-imidazol-1-yloctadecan-1-ol?
The canonical SMILES for 10-imidazol-1-yloctadecan-1-ol is CCCCCCCCC(CCCCCCCCCO)n1ccnc1.
What is the InChIKey of 10-imidazol-1-yloctadecan-1-ol?
The InChIKey is NBMIGONDZMISLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O/c1-2-3-4-5-9-12-15-21(23-18-17-22-20-23)16-13-10-7-6-8-11-14-19-24/h17-18,20-21,24H,2-16,19H2,1H3.
What are the key properties of 10-imidazol-1-yloctadecan-1-ol?
10-imidazol-1-yloctadecan-1-ol has a molecular weight of 336.56 g/mol, XLogP of 6.29, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-imidazol-1-yloctadecan-1-ol is sourced from PubChem (CID 86691654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).