(2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide

C19H18F3N3OS — CID 51956713

IUPAC(2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C19H18F3N3OS/c1-10-5-4-6-11(2)16(10)25-17(26)12(3)27-18-23-14-8-7-13(19(20,21)22)9-15(14)24-18/h4-9,12H,1-3H3,(H,23,24)(H,25,26)/t12-/m1/s1
InChIKeyYKVJHGPVLMUVOV-GFCCVEGCSA-N
MW393.43 g/mol
LogP5.32
Rot. Bonds4

About (2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide

(2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide (PubChem CID 51956713) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is (2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide
PubChem CID51956713
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name(2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C19H18F3N3OS/c1-10-5-4-6-11(2)16(10)25-17(26)12(3)27-18-23-14-8-7-13(19(20,21)22)9-15(14)24-18/h4-9,12H,1-3H3,(H,23,24)(H,25,26)/t12-/m1/s1
InChIKeyYKVJHGPVLMUVOV-GFCCVEGCSA-N
XLogP5.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide with MolForge

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Related Compounds

(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7225818
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide
CID 42270862
(2R)-N-(2,6-dimethylphenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 9147422
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide
CID 7756114
2-methyl-3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]aniline
CID 67570387
(2S)-N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2617970
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 7225718
(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 92742238
(2R)-N-(2,6-dimethylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide
CID 9308147
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552331
N-(2-methoxyphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 4216988
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide
CID 865761

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide (CID 51956713) is (2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide is Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of (2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide?
The InChIKey is YKVJHGPVLMUVOV-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c1-10-5-4-6-11(2)16(10)25-17(26)12(3)27-18-23-14-8-7-13(19(20,21)22)9-15(14)24-18/h4-9,12H,1-3H3,(H,23,24)(H,25,26)/t12-/m1/s1.
What are the key properties of (2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide?
(2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide has a molecular weight of 393.43 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,6-dimethylphenyl)-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 51956713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).