1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol

C16H32N2O — CID 70256872

IUPAC1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
SMILESCCCCCCCCCCC1=NCCN1C(O)CC
InChIInChI=1S/C16H32N2O/c1-3-5-6-7-8-9-10-11-12-15-17-13-14-18(15)16(19)4-2/h16,19H,3-14H2,1-2H3
InChIKeyAPWGKPPFQBDSPD-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.96
Rot. Bonds11

About 1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol

1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol (PubChem CID 70256872) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
PubChem CID70256872
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
SMILESCCCCCCCCCCC1=NCCN1C(O)CC
InChIInChI=1S/C16H32N2O/c1-3-5-6-7-8-9-10-11-12-15-17-13-14-18(15)16(19)4-2/h16,19H,3-14H2,1-2H3
InChIKeyAPWGKPPFQBDSPD-UHFFFAOYSA-N
XLogP3.96
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.96
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-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
CID 19844003
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328078
1-[2-[(E)-hexadec-9-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328122
1-(2-octadec-9-enyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67317165
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
2-(2-undecyl-4,5-dihydroimidazol-1-yl)propanedioic acid
CID 154332783
3-(2-octadecyl-4,5-dihydroimidazol-1-yl)pentanoic acid
CID 122613373
1-[2-[(E)-heptadec-12-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101328167
2-hexadecyl-1-(1-octadecoxyethyl)-4,5-dihydroimidazole
CID 67786332
1-[2-[(E)-undec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327942
(Z)-3-(2-dodecyl-4,5-dihydroimidazol-1-yl)icos-11-en-2-ol;hydrochloride
CID 173221987

Frequently Asked Questions

What is the IUPAC name of 1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol?
The IUPAC name of 1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol (CID 70256872) is 1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol is CCCCCCCCCCC1=NCCN1C(O)CC.
What is the InChIKey of 1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol?
The InChIKey is APWGKPPFQBDSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-6-7-8-9-10-11-12-15-17-13-14-18(15)16(19)4-2/h16,19H,3-14H2,1-2H3.
What are the key properties of 1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol?
1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 3.96, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 70256872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).