3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol

C22H43N3O — CID 70536122

IUPAC3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol
SMILESCCCCCCCCCCCCCCC=CC(CCO)NN1C=NCC1
InChIInChI=1S/C22H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(17-20-26)24-25-19-18-23-21-25/h15-16,21-22,24,26H,2-14,17-20H2,1H3
InChIKeyDTKYKEMMQPOVGX-UHFFFAOYSA-N
MW365.61 g/mol
LogP5.23
Rot. Bonds18

About 3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol

3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol (PubChem CID 70536122) has the molecular formula C22H43N3O and a molecular weight of 365.61 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol
PubChem CID70536122
Molecular FormulaC22H43N3O
Molecular Weight365.61 g/mol
Exact Mass365.34
IUPAC Name3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol
SMILESCCCCCCCCCCCCCCC=CC(CCO)NN1C=NCC1
InChIInChI=1S/C22H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(17-20-26)24-25-19-18-23-21-25/h15-16,21-22,24,26H,2-14,17-20H2,1H3
InChIKeyDTKYKEMMQPOVGX-UHFFFAOYSA-N
XLogP5.23
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.61
LogP ≤ 55.23
H-Bond Donors ≤ 52
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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Related Compounds

N-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-amine
CID 67857827
1-tricos-8-en-7-yl-4,5-dihydroimidazole
CID 69115156
(E)-3-methylundec-4-en-1-ol
CID 121006781
1-icos-5-en-4-yl-4,5-dihydroimidazole;prop-2-enoic acid
CID 69115000
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
1-[(E)-nonadec-3-en-3-yl]-4,5-dihydroimidazole
CID 70491830
azane;1-nonadec-4-en-2-yl-4,5-dihydroimidazole
CID 174771585
(Z)-1-N'-[2-(4,5-dihydroimidazol-1-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406814
1-[(E)-octadec-9-en-9-yl]-4,5-dihydroimidazole
CID 70481755
(E)-hexadec-7-ene-1,3-diol
CID 134326669
azane;4,5-dihydro-1H-imidazole;ethyl [(E)-1-hydroxynonadec-4-en-3-yl] sulfate
CID 88740977
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol?
The IUPAC name of 3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol (CID 70536122) is 3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol is CCCCCCCCCCCCCCC=CC(CCO)NN1C=NCC1.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol?
The InChIKey is DTKYKEMMQPOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(17-20-26)24-25-19-18-23-21-25/h15-16,21-22,24,26H,2-14,17-20H2,1H3.
What are the key properties of 3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol?
3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol has a molecular weight of 365.61 g/mol, XLogP of 5.23, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-ylamino)nonadec-4-en-1-ol is sourced from PubChem (CID 70536122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).