N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide

C20H23F3N4OS — CID 18282974

IUPACN-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCCCn1c(SCC(=O)NC2(C#N)CCCCC2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H23F3N4OS/c1-2-10-27-16-11-14(20(21,22)23)6-7-15(16)25-18(27)29-12-17(28)26-19(13-24)8-4-3-5-9-19/h6-7,11H,2-5,8-10,12H2,1H3,(H,26,28)
InChIKeyJDXULPQWFXBXAP-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.90
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide

N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 18282974) has the molecular formula C20H23F3N4OS and a molecular weight of 424.49 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID18282974
Molecular FormulaC20H23F3N4OS
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC NameN-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCCCn1c(SCC(=O)NC2(C#N)CCCCC2)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C20H23F3N4OS/c1-2-10-27-16-11-14(20(21,22)23)6-7-15(16)25-18(27)29-12-17(28)26-19(13-24)8-4-3-5-9-19/h6-7,11H,2-5,8-10,12H2,1H3,(H,26,28)
InChIKeyJDXULPQWFXBXAP-UHFFFAOYSA-N
XLogP4.90
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25330174
N-(1-cyanocyclohexyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide
CID 4819556
N-(2-chloro-3-pyridinyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25341657
(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 25330471
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide
CID 55538278
1-[2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 31436504
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 115501975
N-(1-cyanocyclohexyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 29349191
N-(1-cyanocyclopentyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 55568964
N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4819467
2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
CID 78857377
2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocycloheptyl)acetamide
CID 134018035

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide (CID 18282974) is N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide is CCCn1c(SCC(=O)NC2(C#N)CCCCC2)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is JDXULPQWFXBXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4OS/c1-2-10-27-16-11-14(20(21,22)23)6-7-15(16)25-18(27)29-12-17(28)26-19(13-24)8-4-3-5-9-19/h6-7,11H,2-5,8-10,12H2,1H3,(H,26,28).
What are the key properties of N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 424.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 18282974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).