2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide

C23H23F3N4O2S — CID 4030976

IUPAC2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)NC(=O)NC1CCCC1
InChIInChI=1S/C23H23F3N4O2S/c24-23(25,26)16-10-11-19-18(12-16)28-22(30(19)13-15-6-2-1-3-7-15)33-14-20(31)29-21(32)27-17-8-4-5-9-17/h1-3,6-7,10-12,17H,4-5,8-9,13-14H2,(H2,27,29,31,32)
InChIKeyHJSOOUCIWXLOLK-UHFFFAOYSA-N
MW476.52 g/mol
LogP4.96
Rot. Bonds6

About 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide

2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 4030976) has the molecular formula C23H23F3N4O2S and a molecular weight of 476.52 g/mol. Its IUPAC name is 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide
PubChem CID4030976
Molecular FormulaC23H23F3N4O2S
Molecular Weight476.52 g/mol
Exact Mass476.15
IUPAC Name2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)NC(=O)NC1CCCC1
InChIInChI=1S/C23H23F3N4O2S/c24-23(25,26)16-10-11-19-18(12-16)28-22(30(19)13-15-6-2-1-3-7-15)33-14-20(31)29-21(32)27-17-8-4-5-9-17/h1-3,6-7,10-12,17H,4-5,8-9,13-14H2,(H2,27,29,31,32)
InChIKeyHJSOOUCIWXLOLK-UHFFFAOYSA-N
XLogP4.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 4033074
N-(benzylcarbamoyl)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3604261
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide
CID 177370204
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25361394
3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46689137
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 41166156
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 26434941
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 46806440
1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethyl]pyrrolidin-2-one
CID 112821836
[2-(cyclopropylamino)-2-oxoethyl] 3-[4-benzyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoate
CID 3444662
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetate
CID 51672963
2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 42984857

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide (CID 4030976) is 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide is O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)NC(=O)NC1CCCC1.
What is the InChIKey of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is HJSOOUCIWXLOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2S/c24-23(25,26)16-10-11-19-18(12-16)28-22(30(19)13-15-6-2-1-3-7-15)33-14-20(31)29-21(32)27-17-8-4-5-9-17/h1-3,6-7,10-12,17H,4-5,8-9,13-14H2,(H2,27,29,31,32).
What are the key properties of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 476.52 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 4030976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).