7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole

C17H18N2O2S — CID 91534623

IUPAC7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole
SMILESCOCCn1cnc2cc(Sc3ccccc3)cc(OC)c21
InChIInChI=1S/C17H18N2O2S/c1-20-9-8-19-12-18-15-10-14(11-16(21-2)17(15)19)22-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyYSCLBTWQYLKGHO-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.84
Rot. Bonds6

About 7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole

7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole (PubChem CID 91534623) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole.

Molecular Properties

Compound Name7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole
PubChem CID91534623
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole
SMILESCOCCn1cnc2cc(Sc3ccccc3)cc(OC)c21
InChIInChI=1S/C17H18N2O2S/c1-20-9-8-19-12-18-15-10-14(11-16(21-2)17(15)19)22-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyYSCLBTWQYLKGHO-UHFFFAOYSA-N
XLogP3.84
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole?
The IUPAC name of 7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole (CID 91534623) is 7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole.
What is the SMILES notation for 7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole?
The canonical SMILES for 7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole is COCCn1cnc2cc(Sc3ccccc3)cc(OC)c21.
What is the InChIKey of 7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole?
The InChIKey is YSCLBTWQYLKGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-20-9-8-19-12-18-15-10-14(11-16(21-2)17(15)19)22-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole?
7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole has a molecular weight of 314.41 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole is sourced from PubChem (CID 91534623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).