2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole

C19H20N2O2S — CID 17027954

IUPAC2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(SCCOc2ccccc2OC)nc2ccccc21
InChIInChI=1S/C19H20N2O2S/c1-3-12-21-16-9-5-4-8-15(16)20-19(21)24-14-13-23-18-11-7-6-10-17(18)22-2/h3-11H,1,12-14H2,2H3
InChIKeyLXDPAHMJSZGNIV-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.40
Rot. Bonds8

About 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole

2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole (PubChem CID 17027954) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole
PubChem CID17027954
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole
SMILESC=CCn1c(SCCOc2ccccc2OC)nc2ccccc21
InChIInChI=1S/C19H20N2O2S/c1-3-12-21-16-9-5-4-8-15(16)20-19(21)24-14-13-23-18-11-7-6-10-17(18)22-2/h3-11H,1,12-14H2,2H3
InChIKeyLXDPAHMJSZGNIV-UHFFFAOYSA-N
XLogP4.40
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethyl-2-[2-(2-methoxyphenoxy)ethylsulfanyl]benzimidazole
CID 17027953
2-[2-(2,3-dimethylphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole
CID 23613758
2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole
CID 23613754
1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
CID 22509756
2-(2-methylprop-2-enylsulfanyl)-1-prop-2-enylbenzimidazole
CID 46731807
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetic acid
CID 43220154
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetonitrile
CID 84603793
2-[5-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 3990387
4-methoxy-N-[2-[5-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 3574581
2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride
CID 171151741
2-[2-(4-chlorophenoxy)ethylsulfanyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 2772456
2-[2-(2,3-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynylbenzimidazole
CID 17027937

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole (CID 17027954) is 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole is C=CCn1c(SCCOc2ccccc2OC)nc2ccccc21.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole?
The InChIKey is LXDPAHMJSZGNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-3-12-21-16-9-5-4-8-15(16)20-19(21)24-14-13-23-18-11-7-6-10-17(18)22-2/h3-11H,1,12-14H2,2H3.
What are the key properties of 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole?
2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole has a molecular weight of 340.45 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole is sourced from PubChem (CID 17027954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).