N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide

C19H20FN3O2S — CID 50773470

IUPACN-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide
SMILESCC(C)Sc1cc2c(cc1NC(=O)c1cccc(F)c1)n(C)c(=O)n2C
InChIInChI=1S/C19H20FN3O2S/c1-11(2)26-17-10-16-15(22(3)19(25)23(16)4)9-14(17)21-18(24)12-6-5-7-13(20)8-12/h5-11H,1-4H3,(H,21,24)
InChIKeyBVBUJFHOXOCJAZ-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.77
Rot. Bonds4

About N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide

N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide (PubChem CID 50773470) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide
PubChem CID50773470
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide
SMILESCC(C)Sc1cc2c(cc1NC(=O)c1cccc(F)c1)n(C)c(=O)n2C
InChIInChI=1S/C19H20FN3O2S/c1-11(2)26-17-10-16-15(22(3)19(25)23(16)4)9-14(17)21-18(24)12-6-5-7-13(20)8-12/h5-11H,1-4H3,(H,21,24)
InChIKeyBVBUJFHOXOCJAZ-UHFFFAOYSA-N
XLogP3.77
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide (CID 50773470) is N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide is CC(C)Sc1cc2c(cc1NC(=O)c1cccc(F)c1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide?
The InChIKey is BVBUJFHOXOCJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-11(2)26-17-10-16-15(22(3)19(25)23(16)4)9-14(17)21-18(24)12-6-5-7-13(20)8-12/h5-11H,1-4H3,(H,21,24).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide?
N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide has a molecular weight of 373.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-3-fluorobenzamide is sourced from PubChem (CID 50773470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).