2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone

C19H18ClFN2O3S — CID 30896855

IUPAC2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOCCn1c(SCC(=O)c2cc(F)ccc2OC)nc2cc(Cl)ccc21
InChIInChI=1S/C19H18ClFN2O3S/c1-25-8-7-23-16-5-3-12(20)9-15(16)22-19(23)27-11-17(24)14-10-13(21)4-6-18(14)26-2/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyZJFKNSNVHHGIRB-UHFFFAOYSA-N
MW408.88 g/mol
LogP4.46
Rot. Bonds8

About 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone

2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 30896855) has the molecular formula C19H18ClFN2O3S and a molecular weight of 408.88 g/mol. Its IUPAC name is 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID30896855
Molecular FormulaC19H18ClFN2O3S
Molecular Weight408.88 g/mol
Exact Mass408.07
IUPAC Name2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOCCn1c(SCC(=O)c2cc(F)ccc2OC)nc2cc(Cl)ccc21
InChIInChI=1S/C19H18ClFN2O3S/c1-25-8-7-23-16-5-3-12(20)9-15(16)22-19(23)27-11-17(24)14-10-13(21)4-6-18(14)26-2/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyZJFKNSNVHHGIRB-UHFFFAOYSA-N
XLogP4.46
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 30896855) is 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone is COCCn1c(SCC(=O)c2cc(F)ccc2OC)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is ZJFKNSNVHHGIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3S/c1-25-8-7-23-16-5-3-12(20)9-15(16)22-19(23)27-11-17(24)14-10-13(21)4-6-18(14)26-2/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 408.88 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 30896855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).