2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide

C22H18FN3OS — CID 1273809

IUPAC2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1c(SCc2ccccc2)nc2ccccc21)Nc1ccccc1F
InChIInChI=1S/C22H18FN3OS/c23-17-10-4-5-11-18(17)24-21(27)14-26-20-13-7-6-12-19(20)25-22(26)28-15-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,27)
InChIKeyWKUYGLFGYCLASZ-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.11
Rot. Bonds6

About 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide

2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 1273809) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide
PubChem CID1273809
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC Name2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(Cn1c(SCc2ccccc2)nc2ccccc21)Nc1ccccc1F
InChIInChI=1S/C22H18FN3OS/c23-17-10-4-5-11-18(17)24-21(27)14-26-20-13-7-6-12-19(20)25-22(26)28-15-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,27)
InChIKeyWKUYGLFGYCLASZ-UHFFFAOYSA-N
XLogP5.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4012996
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4241104
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 17033124
2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
CID 25330591
2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide
CID 40688936
1-(4-benzylpiperazin-1-yl)-2-(2-benzylsulfanylbenzimidazol-1-yl)ethanone
CID 4046484
methyl 2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetate
CID 56697290
2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol
CID 675063
N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908533
2-[2-[(3-bromophenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
CID 70688381

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide (CID 1273809) is 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide is O=C(Cn1c(SCc2ccccc2)nc2ccccc21)Nc1ccccc1F.
What is the InChIKey of 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is WKUYGLFGYCLASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c23-17-10-4-5-11-18(17)24-21(27)14-26-20-13-7-6-12-19(20)25-22(26)28-15-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,27).
What are the key properties of 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide?
2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1273809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).