N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-fluorobenzamide

C19H20FN3O2S — CID 50773270

IUPACN-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-fluorobenzamide
SMILESCC(C)Sc1cc2c(cc1NC(=O)c1ccc(F)cc1)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)12-5-7-13(20)8-6-12/h5-11H,1-4H3,(H,21,24)
InChIKeySIOGLACLFVLGJF-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.77
Rot. Bonds4

About N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-fluorobenzamide

N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-fluorobenzamide (PubChem CID 50773270) 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)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-fluorobenzamide
PubChem CID50773270
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-fluorobenzamide
SMILESCC(C)Sc1cc2c(cc1NC(=O)c1ccc(F)cc1)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)12-5-7-13(20)8-6-12/h5-11H,1-4H3,(H,21,24)
InChIKeySIOGLACLFVLGJF-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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Related Compounds

N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-2-isopropylsulfanyl-benzamide
CID 6498925
N-(10-Methyl-11-oxo-10,11-dihydrodibenzo[B,F][1,4]thiazepin-8-YL)-1-pyrrolidinecarboxamide
CID 3236612
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
CID 6458673
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-ethylsulfanylbenzamide
CID 6473670
N-[6-(dimethylamino)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]-4-fluorobenzamide
CID 2982904
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-[(4-methylphenyl)thio]acetamide
CID 2983864
1-[(1-Ethylpyrrolidin-2-yl)methyl]-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea
CID 22511584
N-[1,3-Diethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-3-fluorobenzamide
CID 50773109
N-[1,3-Dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-3-fluorobenzamide
CID 50773470
N-[6-(Benzenesulfonyl)-1,3-diethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2,6-difluorobenzamide
CID 50824186
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1-propan-2-yl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)urea
CID 11340432
3-[1-[2-[(2-fluorophenyl)methylsulfanyl]benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 17408820

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-fluorobenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-fluorobenzamide (CID 50773270) is N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-fluorobenzamide is CC(C)Sc1cc2c(cc1NC(=O)c1ccc(F)cc1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-fluorobenzamide?
The InChIKey is SIOGLACLFVLGJF-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)12-5-7-13(20)8-6-12/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)-4-fluorobenzamide?
N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfanylbenzimidazol-5-yl)-4-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)-4-fluorobenzamide is sourced from PubChem (CID 50773270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).