N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide

C21H22F2N4OS — CID 25348020

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1C(F)F)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H22F2N4OS/c22-20(23)27-18-9-5-4-8-17(18)25-21(27)29-14-19(28)24-16-10-11-26(13-16)12-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2,(H,24,28)/t16-/m1/s1
InChIKeyKXQNVGIODCSAQP-MRXNPFEDSA-N
MW416.50 g/mol
LogP3.91
Rot. Bonds7

About N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 25348020) has the molecular formula C21H22F2N4OS and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID25348020
Molecular FormulaC21H22F2N4OS
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1C(F)F)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H22F2N4OS/c22-20(23)27-18-9-5-4-8-17(18)25-21(27)29-14-19(28)24-16-10-11-26(13-16)12-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2,(H,24,28)/t16-/m1/s1
InChIKeyKXQNVGIODCSAQP-MRXNPFEDSA-N
XLogP3.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 33247390
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 8871168
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 33245985
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 24674917
N-(1-benzylpyrrolidin-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 18201104
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 24674910
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51261747
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 24576550
N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 46684567
N-(1-benzylpyrrolidin-3-yl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 17479895
N-(1-benzylpyrrolidin-3-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 18202307

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide (CID 25348020) is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2n1C(F)F)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is KXQNVGIODCSAQP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22F2N4OS/c22-20(23)27-18-9-5-4-8-17(18)25-21(27)29-14-19(28)24-16-10-11-26(13-16)12-15-6-2-1-3-7-15/h1-9,16,20H,10-14H2,(H,24,28)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 416.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 25348020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).