1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one

C23H42N2O — CID 70346591

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one
SMILESCCCCCCCCC=CCCCCCCC(CC)C(=O)C1=NCCN1
InChIInChI=1S/C23H42N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4-2)22(26)23-24-19-20-25-23/h11-12,21H,3-10,13-20H2,1-2H3,(H,24,25)
InChIKeyZIPHYULVPBYRFK-UHFFFAOYSA-N
MW362.60 g/mol
LogP6.23
Rot. Bonds17

About 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one

1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one (PubChem CID 70346591) has the molecular formula C23H42N2O and a molecular weight of 362.60 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one
PubChem CID70346591
Molecular FormulaC23H42N2O
Molecular Weight362.60 g/mol
Exact Mass362.33
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one
SMILESCCCCCCCCC=CCCCCCCC(CC)C(=O)C1=NCCN1
InChIInChI=1S/C23H42N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4-2)22(26)23-24-19-20-25-23/h11-12,21H,3-10,13-20H2,1-2H3,(H,24,25)
InChIKeyZIPHYULVPBYRFK-UHFFFAOYSA-N
XLogP6.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.23
H-Bond Donors ≤ 51
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

2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 66957865
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
2-hexadecyloctadec-9-enoyl 2-hexadecyloctadec-9-enoate
CID 173425586
N-[4-(4,5-dihydro-1H-imidazol-2-yl)-3-methylicos-11-en-2-yl]octadec-9-enamide
CID 56633350
2-icos-11-enyltetracos-15-enoic acid
CID 54547643
(Z)-2-[(Z)-octadec-9-enyl]docos-13-enoic acid
CID 87920196
2-[(Z)-tetradec-7-enyl]icosanoic acid
CID 56844148
(Z)-N-[(Z)-3-(4,5-dihydro-1H-imidazole-2-carbonyl)-3-methylnonadec-10-en-2-yl]octadec-9-enamide;methyl hydrogen sulfate
CID 175053997
(Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406813
sulfanyl (Z)-2-ethyloctadec-9-enoate
CID 175507443
2-[1-(4,5-dihydro-1H-imidazol-2-yl)tridec-2-enyl]-4,5-dihydro-1H-imidazole
CID 150338397

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one (CID 70346591) is 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one is CCCCCCCCC=CCCCCCCC(CC)C(=O)C1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one?
The InChIKey is ZIPHYULVPBYRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(4-2)22(26)23-24-19-20-25-23/h11-12,21H,3-10,13-20H2,1-2H3,(H,24,25).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one?
1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one has a molecular weight of 362.60 g/mol, XLogP of 6.23, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyloctadec-9-en-1-one is sourced from PubChem (CID 70346591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).