azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole

C22H45N3 — CID 174771585

IUPACazane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCC=CCC(C)N1C=NCC1.N
InChIInChI=1S/C22H42N2.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)24-20-19-23-21-24;/h16-17,21-22H,3-15,18-20H2,1-2H3;1H3
InChIKeyCNMYKWLFSJPQPG-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.92
Rot. Bonds16

About azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole

azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole (PubChem CID 174771585) has the molecular formula C22H45N3 and a molecular weight of 351.62 g/mol. Its IUPAC name is azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole.

Molecular Properties

Compound Nameazane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole
PubChem CID174771585
Molecular FormulaC22H45N3
Molecular Weight351.62 g/mol
Exact Mass351.36
IUPAC Nameazane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCC=CCC(C)N1C=NCC1.N
InChIInChI=1S/C22H42N2.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)24-20-19-23-21-24;/h16-17,21-22H,3-15,18-20H2,1-2H3;1H3
InChIKeyCNMYKWLFSJPQPG-UHFFFAOYSA-N
XLogP6.92
TPSA50.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.92
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

1-tricos-8-en-7-yl-4,5-dihydroimidazole
CID 69115156
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine
CID 67857827
3-(4,5-dihydroimidazol-1-yl)nonadecan-2-ol
CID 70378398
1-icos-5-en-4-yl-4,5-dihydroimidazole;prop-2-enoic acid
CID 69115000
1-(4,5-dihydroimidazol-1-yl)nonadecan-1-ol
CID 57204526
(E)-dodec-4-en-2-amine
CID 55254669
1-(4,5-dihydroimidazol-1-yl)-2-dodecyl-2-(1-hydroxyethyl)octadec-9-en-1-one
CID 173181863
2-(4,5-dihydroimidazol-1-yl)nonan-1-ol
CID 174900137
(4E,7E)-2-methylheptadeca-4,7-diene
CID 177270095
octadec-9-enoic acid;1-octadec-9-enyl-4,5-dihydroimidazole
CID 70617412
(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406814

Frequently Asked Questions

What is the IUPAC name of azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole?
The IUPAC name of azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole (CID 174771585) is azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole.
What is the SMILES notation for azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole?
The canonical SMILES for azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole is CCCCCCCCCCCCCCC=CCC(C)N1C=NCC1.N.
What is the InChIKey of azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole?
The InChIKey is CNMYKWLFSJPQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)24-20-19-23-21-24;/h16-17,21-22H,3-15,18-20H2,1-2H3;1H3.
What are the key properties of azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole?
azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole has a molecular weight of 351.62 g/mol, XLogP of 6.92, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole is sourced from PubChem (CID 174771585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).