N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide

C19H20FN3O2S — CID 4665385

IUPACN-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCCn1c(=O)n(CC)c2cc(NC(=O)CSc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H20FN3O2S/c1-3-22-16-10-7-14(11-17(16)23(4-2)19(22)25)21-18(24)12-26-15-8-5-13(20)6-9-15/h5-11H,3-4,12H2,1-2H3,(H,21,24)
InChIKeyARJUGKORHHWKRJ-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.71
Rot. Bonds6

About N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide

N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 4665385) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID4665385
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCCn1c(=O)n(CC)c2cc(NC(=O)CSc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H20FN3O2S/c1-3-22-16-10-7-14(11-17(16)23(4-2)19(22)25)21-18(24)12-26-15-8-5-13(20)6-9-15/h5-11H,3-4,12H2,1-2H3,(H,21,24)
InChIKeyARJUGKORHHWKRJ-UHFFFAOYSA-N
XLogP3.71
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide (CID 4665385) is N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide is CCn1c(=O)n(CC)c2cc(NC(=O)CSc3ccc(F)cc3)ccc21.
What is the InChIKey of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is ARJUGKORHHWKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-3-22-16-10-7-14(11-17(16)23(4-2)19(22)25)21-18(24)12-26-15-8-5-13(20)6-9-15/h5-11H,3-4,12H2,1-2H3,(H,21,24).
What are the key properties of N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 373.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 4665385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).