1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole

C23H25ClN2O3 — CID 168679818

IUPAC1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole
SMILESC=CCc1ccc(OCC(Cn2ccnc2)OCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C23H25ClN2O3/c1-3-4-18-7-10-22(23(13-18)27-2)29-16-21(14-26-12-11-25-17-26)28-15-19-5-8-20(24)9-6-19/h3,5-13,17,21H,1,4,14-16H2,2H3
InChIKeyTZNFPVVDWONOHA-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.94
Rot. Bonds11

About 1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole

1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole (PubChem CID 168679818) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole
PubChem CID168679818
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole
SMILESC=CCc1ccc(OCC(Cn2ccnc2)OCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C23H25ClN2O3/c1-3-4-18-7-10-22(23(13-18)27-2)29-16-21(14-26-12-11-25-17-26)28-15-19-5-8-20(24)9-6-19/h3,5-13,17,21H,1,4,14-16H2,2H3
InChIKeyTZNFPVVDWONOHA-UHFFFAOYSA-N
XLogP4.94
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-chlorophenoxy)-2-[(3,4-dichlorophenyl)methoxy]propyl]imidazole;nitric acid
CID 70638827
1-[2-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 21443191
1-[3-(4-chloro-2-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2284434
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene
CID 25215400
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16998964
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
3-imidazol-1-yl-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 54848745
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene
CID 54397178
1-[2-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dichlorophenyl)sulfanylpropyl]imidazole
CID 54183538

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole?
The IUPAC name of 1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole (CID 168679818) is 1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole is C=CCc1ccc(OCC(Cn2ccnc2)OCc2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole?
The InChIKey is TZNFPVVDWONOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-3-4-18-7-10-22(23(13-18)27-2)29-16-21(14-26-12-11-25-17-26)28-15-19-5-8-20(24)9-6-19/h3,5-13,17,21H,1,4,14-16H2,2H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole?
1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole has a molecular weight of 412.92 g/mol, XLogP of 4.94, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole is sourced from PubChem (CID 168679818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).