1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol

C20H38N2O — CID 101328112

IUPAC1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
SMILESCC/C=C/CCCCCCCCCCCC1NC=CN1C(C)O
InChIInChI=1S/C20H38N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21-17-18-22(20)19(2)23/h4-5,17-21,23H,3,6-16H2,1-2H3/b5-4+
InChIKeyDPUZRWLRHNFSRA-SNAWJCMRSA-N
MW322.54 g/mol
LogP5.28
Rot. Bonds14

About 1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol

1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol (PubChem CID 101328112) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
PubChem CID101328112
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
SMILESCC/C=C/CCCCCCCCCCCC1NC=CN1C(C)O
InChIInChI=1S/C20H38N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21-17-18-22(20)19(2)23/h4-5,17-21,23H,3,6-16H2,1-2H3/b5-4+
InChIKeyDPUZRWLRHNFSRA-SNAWJCMRSA-N
XLogP5.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(E)-tridec-9-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328030
1-[2-[(E)-octadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328248
1-[2-[(E)-heptadec-11-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328198
1-[2-[(E)-octadec-11-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328247
1-[2-[(E)-heptadec-10-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328197
1-[2-[(E)-tetradec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol
CID 101328071
1-(2-non-8-enyl-1,2-dihydroimidazol-3-yl)ethanol
CID 101327908
1-[2-[(E)-hexadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323422
1-[2-[(E)-heptadec-7-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323508
1-[2-[(E)-tetradec-8-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101323252
1-[2-[(E)-non-5-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322885
1-[2-[(E)-undec-3-enyl]-1,2-dihydroimidazol-3-yl]ethanamine
CID 101322989

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
The IUPAC name of 1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol (CID 101328112) is 1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol.
What is the SMILES notation for 1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
The canonical SMILES for 1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol is CC/C=C/CCCCCCCCCCCC1NC=CN1C(C)O.
What is the InChIKey of 1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
The InChIKey is DPUZRWLRHNFSRA-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H38N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21-17-18-22(20)19(2)23/h4-5,17-21,23H,3,6-16H2,1-2H3/b5-4+.
What are the key properties of 1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol?
1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol has a molecular weight of 322.54 g/mol, XLogP of 5.28, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-pentadec-12-enyl]-1,2-dihydroimidazol-3-yl]ethanol is sourced from PubChem (CID 101328112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).