3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol

C41H82N2O — CID 162290626

IUPAC3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(CCCO)C1CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H82N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42-38-39-43(37-34-40-44)41(42)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,41,44H,3-37,40H2,1-2H3
InChIKeyYWGKGLFFUOWAMT-UHFFFAOYSA-N
MW619.12 g/mol
LogP13.31
Rot. Bonds36

About 3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol

3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol (PubChem CID 162290626) has the molecular formula C41H82N2O and a molecular weight of 619.12 g/mol. Its IUPAC name is 3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol
PubChem CID162290626
Molecular FormulaC41H82N2O
Molecular Weight619.12 g/mol
Exact Mass618.64
IUPAC Name3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol
SMILESCCCCCCCCCCCCCCCCCCN1C=CN(CCCO)C1CCCCCCCCCCCCCCCCC
InChIInChI=1S/C41H82N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42-38-39-43(37-34-40-44)41(42)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,41,44H,3-37,40H2,1-2H3
InChIKeyYWGKGLFFUOWAMT-UHFFFAOYSA-N
XLogP13.31
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.12
LogP ≤ 513.31
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

1-nonadecyl-2,3-di(tridecyl)-2H-imidazole
CID 69396059
2-heptadecyl-1-heptyl-3-tridecyl-2H-imidazole
CID 69392439
1-dodecyl-3-hexadecyl-2-nonadecyl-2H-imidazole
CID 69395781
2-hexyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69389120
2-heptyl-1-hexyl-3-undecyl-2H-imidazole
CID 69389908
2-decyl-1-hexyl-3-octyl-2H-imidazole
CID 69390562
1-decyl-2-nonadecyl-3-tetradecyl-2H-imidazole
CID 69393336
2-octyl-1-pentyl-3-tridecyl-2H-imidazole
CID 69392381
2-hexyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69389447
1-dodecyl-2,3-dioctadecyl-2H-imidazole
CID 69396437
1,3-dihexyl-2-octadecyl-2H-imidazole
CID 69391687
1-hexadecyl-3-pentyl-2-undecyl-2H-imidazole
CID 69391035

Frequently Asked Questions

What is the IUPAC name of 3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol (CID 162290626) is 3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol is CCCCCCCCCCCCCCCCCCN1C=CN(CCCO)C1CCCCCCCCCCCCCCCCC.
What is the InChIKey of 3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol?
The InChIKey is YWGKGLFFUOWAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H82N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42-38-39-43(37-34-40-44)41(42)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,41,44H,3-37,40H2,1-2H3.
What are the key properties of 3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol?
3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol has a molecular weight of 619.12 g/mol, XLogP of 13.31, 36 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-heptadecyl-3-octadecyl-2H-imidazol-1-yl)propan-1-ol is sourced from PubChem (CID 162290626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).