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

C21H16ClN3OS — CID 4097321

IUPACN-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C21H16ClN3OS/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)
InChIKeyBSYIIHBFACJDJN-UHFFFAOYSA-N
MW393.90 g/mol
LogP5.41
Rot. Bonds5

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

N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 4097321) has the molecular formula C21H16ClN3OS and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID4097321
Molecular FormulaC21H16ClN3OS
Molecular Weight393.90 g/mol
Exact Mass393.07
IUPAC NameN-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C21H16ClN3OS/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)
InChIKeyBSYIIHBFACJDJN-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.90
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4241104
N-(2-methoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4076594
N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 3939982
N-(2-chlorophenyl)-2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16500260
N-(2-hydroxyphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 155969389
N-(2-chlorophenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2109363
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-chlorophenyl)ethyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 23940336
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 23739711
N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 23800004
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2,3-dichlorophenyl)acetamide
CID 3959698

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (CID 4097321) is N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is BSYIIHBFACJDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3OS/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-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 393.90 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 4097321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).