N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine

C19H23N3O2 — CID 123662940

IUPACN-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine
SMILESCCCc1ccc(/N=C2/COC=CO2)c(CCCn2ccnc2)c1
InChIInChI=1S/C19H23N3O2/c1-2-4-16-6-7-18(21-19-14-23-11-12-24-19)17(13-16)5-3-9-22-10-8-20-15-22/h6-8,10-13,15H,2-5,9,14H2,1H3/b21-19-
InChIKeyBHMMGZMDEVDYTD-VZCXRCSSSA-N
MW325.41 g/mol
LogP4.02
Rot. Bonds7

About N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine

N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine (PubChem CID 123662940) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine.

Molecular Properties

Compound NameN-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine
PubChem CID123662940
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine
SMILESCCCc1ccc(/N=C2/COC=CO2)c(CCCn2ccnc2)c1
InChIInChI=1S/C19H23N3O2/c1-2-4-16-6-7-18(21-19-14-23-11-12-24-19)17(13-16)5-3-9-22-10-8-20-15-22/h6-8,10-13,15H,2-5,9,14H2,1H3/b21-19-
InChIKeyBHMMGZMDEVDYTD-VZCXRCSSSA-N
XLogP4.02
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine with MolForge

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Related Compounds

1-[3-[4,5-dimethyl-2-(4-propylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 154279954
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097
1-[3-(4-methylthiophen-3-yl)propyl]imidazole
CID 67658742
1-[4-(3-imidazol-1-ylpropyl)phenyl]ethanone
CID 142964168
1-(3-imidazol-1-ylpropyl)-4-propylpiperazine
CID 174856512
sodium;1-butylimidazole;bromide
CID 175480877
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
CID 65446900
2-(3-imidazol-1-ylpropyl)-3-methylbenzene-1,4-diamine
CID 137462166
1-nonylimidazole;hydrobromide
CID 175434544
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
1-[(2-tridecylphenyl)methyl]imidazole
CID 174856287
3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170866372

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine?
The IUPAC name of N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine (CID 123662940) is N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine.
What is the SMILES notation for N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine?
The canonical SMILES for N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine is CCCc1ccc(/N=C2/COC=CO2)c(CCCn2ccnc2)c1.
What is the InChIKey of N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine?
The InChIKey is BHMMGZMDEVDYTD-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-4-16-6-7-18(21-19-14-23-11-12-24-19)17(13-16)5-3-9-22-10-8-20-15-22/h6-8,10-13,15H,2-5,9,14H2,1H3/b21-19-.
What are the key properties of N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine?
N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine has a molecular weight of 325.41 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-imidazol-1-ylpropyl)-4-propylphenyl]-1,4-dioxin-2-imine is sourced from PubChem (CID 123662940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).