2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

C18H22F3N3OS — CID 42884027

IUPAC2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Sc1nc2ccccc2n1C1CCCCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C18H22F3N3OS/c1-12(16(25)22-11-18(19,20)21)26-17-23-14-9-5-6-10-15(14)24(17)13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,22,25)
InChIKeyCHYLFDRQOSFYRR-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.70
Rot. Bonds5

About 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 42884027) has the molecular formula C18H22F3N3OS and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID42884027
Molecular FormulaC18H22F3N3OS
Molecular Weight385.46 g/mol
Exact Mass385.14
IUPAC Name2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Sc1nc2ccccc2n1C1CCCCC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C18H22F3N3OS/c1-12(16(25)22-11-18(19,20)21)26-17-23-14-9-5-6-10-15(14)24(17)13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,22,25)
InChIKeyCHYLFDRQOSFYRR-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 25324921
(2S)-N-carbamoyl-2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-3-methylbutanamide
CID 25341824
(2R)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 41138172
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 42896909
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 37148615
2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 112779482
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 112780256
2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78807681
(2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7988567

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (CID 42884027) is 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is CC(Sc1nc2ccccc2n1C1CCCCC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CHYLFDRQOSFYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3OS/c1-12(16(25)22-11-18(19,20)21)26-17-23-14-9-5-6-10-15(14)24(17)13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,22,25).
What are the key properties of 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 385.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 42884027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).