1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol

C26H48N4O — CID 66794067

IUPAC1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCC1(c2ncc[nH]2)NCCN1C(C)O
InChIInChI=1S/C26H48N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(25-27-20-21-28-25)29-22-23-30(26)24(2)31/h10-11,20-21,24,29,31H,3-9,12-19,22-23H2,1-2H3,(H,27,28)/b11-10-
InChIKeyIPDDYYDPGQMQTA-KHPPLWFESA-N
MW432.70 g/mol
LogP6.23
Rot. Bonds18

About 1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol

1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol (PubChem CID 66794067) has the molecular formula C26H48N4O and a molecular weight of 432.70 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol
PubChem CID66794067
Molecular FormulaC26H48N4O
Molecular Weight432.70 g/mol
Exact Mass432.38
IUPAC Name1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol
SMILESCCCCCCCC/C=C\CCCCCCCCC1(c2ncc[nH]2)NCCN1C(C)O
InChIInChI=1S/C26H48N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(25-27-20-21-28-25)29-22-23-30(26)24(2)31/h10-11,20-21,24,29,31H,3-9,12-19,22-23H2,1-2H3,(H,27,28)/b11-10-
InChIKeyIPDDYYDPGQMQTA-KHPPLWFESA-N
XLogP6.23
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol?
The IUPAC name of 1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol (CID 66794067) is 1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol.
What is the SMILES notation for 1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol?
The canonical SMILES for 1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol is CCCCCCCC/C=C\CCCCCCCCC1(c2ncc[nH]2)NCCN1C(C)O.
What is the InChIKey of 1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol?
The InChIKey is IPDDYYDPGQMQTA-KHPPLWFESA-N. The full InChI is InChI=1S/C26H48N4O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(25-27-20-21-28-25)29-22-23-30(26)24(2)31/h10-11,20-21,24,29,31H,3-9,12-19,22-23H2,1-2H3,(H,27,28)/b11-10-.
What are the key properties of 1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol?
1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol has a molecular weight of 432.70 g/mol, XLogP of 6.23, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-2-yl)-2-[(Z)-octadec-9-enyl]imidazolidin-1-yl]ethanol is sourced from PubChem (CID 66794067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).