N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide

C21H20F3N5O2S — CID 46623360

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCCCn1c(SC(C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C21H20F3N5O2S/c1-3-8-29-17-9-12(21(22,23)24)4-6-15(17)28-20(29)32-11(2)18(30)25-13-5-7-14-16(10-13)27-19(31)26-14/h4-7,9-11H,3,8H2,1-2H3,(H,25,30)(H2,26,27,31)
InChIKeyZKQLNSKATXZOAD-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.75
Rot. Bonds6

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 46623360) has the molecular formula C21H20F3N5O2S and a molecular weight of 463.49 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID46623360
Molecular FormulaC21H20F3N5O2S
Molecular Weight463.49 g/mol
Exact Mass463.13
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCCCn1c(SC(C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C21H20F3N5O2S/c1-3-8-29-17-9-12(21(22,23)24)4-6-15(17)28-20(29)32-11(2)18(30)25-13-5-7-14-16(10-13)27-19(31)26-14/h4-7,9-11H,3,8H2,1-2H3,(H,25,30)(H2,26,27,31)
InChIKeyZKQLNSKATXZOAD-UHFFFAOYSA-N
XLogP4.75
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanoylamino]thiophene-3-carboxamide
CID 55422121
(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 25330471
(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 33249136
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 51141622
(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8977933
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 51236618
N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25330174
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 136684499
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 46632143
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8948756
2-(4-acetamidophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 46630247
2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 24558855

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide (CID 46623360) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide is CCCn1c(SC(C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is ZKQLNSKATXZOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2S/c1-3-8-29-17-9-12(21(22,23)24)4-6-15(17)28-20(29)32-11(2)18(30)25-13-5-7-14-16(10-13)27-19(31)26-14/h4-7,9-11H,3,8H2,1-2H3,(H,25,30)(H2,26,27,31).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 463.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 46623360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).