N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide

C21H16FN3OS — CID 4241104

IUPACN-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C21H16FN3OS/c22-16-10-4-5-11-17(16)23-20(26)14-27-21-24-18-12-6-7-13-19(18)25(21)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,26)
InChIKeyOPUUISFBHMACBS-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.90
Rot. Bonds5

About N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide

N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 4241104) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID4241104
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC NameN-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C21H16FN3OS/c22-16-10-4-5-11-17(16)23-20(26)14-27-21-24-18-12-6-7-13-19(18)25(21)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,26)
InChIKeyOPUUISFBHMACBS-UHFFFAOYSA-N
XLogP4.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4097321
N-(2-methoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4076594
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4012996
N-(2-hydroxyphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 155969389
N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 3939982
N-(2,6-difluorophenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 16538555
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 3620741
N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 7855874
N-(2,4-difluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4673947
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 43068208
N-(2-fluorophenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 20967201
N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 23800004

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (CID 4241104) is N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is OPUUISFBHMACBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c22-16-10-4-5-11-17(16)23-20(26)14-27-21-24-18-12-6-7-13-19(18)25(21)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,26).
What are the key properties of N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 377.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 4241104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).