1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole

C22H42N2 — CID 70491830

IUPAC1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCC/C=C(\CC)N1C=NCC1
InChIInChI=1S/C22H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(4-2)24-20-19-23-21-24/h18,21H,3-17,19-20H2,1-2H3/b22-18+
InChIKeyNRLZTNJSURIMQX-RELWKKBWSA-N
MW334.59 g/mol
LogP7.11
Rot. Bonds16

About 1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole

1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole (PubChem CID 70491830) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole
PubChem CID70491830
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCC/C=C(\CC)N1C=NCC1
InChIInChI=1S/C22H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(4-2)24-20-19-23-21-24/h18,21H,3-17,19-20H2,1-2H3/b22-18+
InChIKeyNRLZTNJSURIMQX-RELWKKBWSA-N
XLogP7.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-octadec-9-en-9-yl]-4,5-dihydroimidazole
CID 70481755
1-(3-phenylicos-4-en-4-yl)-4,5-dihydroimidazole
CID 175589181
[(Z)-octadec-9-enoyl] 4,5-dihydroimidazole-1-carboxylate
CID 154636012
N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine
CID 67857827
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
1-(4,5-dihydroimidazol-1-yl)-2-dodecyl-2-(1-hydroxyethyl)octadec-9-en-1-one
CID 173181863
1-heptyl-4,5-dihydroimidazole
CID 19733963
3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol
CID 70536122
azane;1-hexadecyl-4,5-dihydroimidazole
CID 174750649
sodium 1-dodecyl-4,5-dihydroimidazole
CID 172834119
azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole (CID 70491830) is 1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole is CCCCCCCCCCCCCCC/C=C(\CC)N1C=NCC1.
What is the InChIKey of 1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole?
The InChIKey is NRLZTNJSURIMQX-RELWKKBWSA-N. The full InChI is InChI=1S/C22H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(4-2)24-20-19-23-21-24/h18,21H,3-17,19-20H2,1-2H3/b22-18+.
What are the key properties of 1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole?
1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole has a molecular weight of 334.59 g/mol, XLogP of 7.11, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole is sourced from PubChem (CID 70491830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).