2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide

C20H20FN3O2S — CID 3224826

IUPAC2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C20H20FN3O2S/c1-13(2)22-19(26)11-24-17-6-4-3-5-16(17)23-20(24)27-12-18(25)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,26)
InChIKeyYLHZTHXFEHOHLY-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.67
Rot. Bonds7

About 2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide

2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 3224826) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID3224826
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C20H20FN3O2S/c1-13(2)22-19(26)11-24-17-6-4-3-5-16(17)23-20(24)27-12-18(25)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,26)
InChIKeyYLHZTHXFEHOHLY-UHFFFAOYSA-N
XLogP3.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 43814540
2-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
CID 24793357
N-cyclopentyl-2-[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3224649
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40829608
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one
CID 7465822
2-[1-[2-(methylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 43310650
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 43667741
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26706070
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
1-(4-chlorophenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethanone
CID 39005978

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide (CID 3224826) is 2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is YLHZTHXFEHOHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-13(2)22-19(26)11-24-17-6-4-3-5-16(17)23-20(24)27-12-18(25)14-7-9-15(21)10-8-14/h3-10,13H,11-12H2,1-2H3,(H,22,26).
What are the key properties of 2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 385.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 3224826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).