N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide

C23H19Cl2N3OS — CID 4850532

IUPACN-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl2N3OS/c24-17-9-6-10-18(25)22(17)27-21(29)15-30-23-26-19-11-4-5-12-20(19)28(23)14-13-16-7-2-1-3-8-16/h1-12H,13-15H2,(H,27,29)
InChIKeyBDLBMAQGSSYCGO-UHFFFAOYSA-N
MW456.40 g/mol
LogP6.32
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide

N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 4850532) has the molecular formula C23H19Cl2N3OS and a molecular weight of 456.40 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID4850532
Molecular FormulaC23H19Cl2N3OS
Molecular Weight456.40 g/mol
Exact Mass455.06
IUPAC NameN-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl2N3OS/c24-17-9-6-10-18(25)22(17)27-21(29)15-30-23-26-19-11-4-5-12-20(19)28(23)14-13-16-7-2-1-3-8-16/h1-12H,13-15H2,(H,27,29)
InChIKeyBDLBMAQGSSYCGO-UHFFFAOYSA-N
XLogP6.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.40
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171502
N-(3,5-dichloro-2-pyridinyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 4574320
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 7309454
N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 18282785
1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone
CID 3982798
N-(2,6-dichlorophenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7876168
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3886388
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4012996
N-(2,6-difluorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7246603
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3955945
N-(2-chloro-6-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 46925073

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide (CID 4850532) is N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is BDLBMAQGSSYCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3OS/c24-17-9-6-10-18(25)22(17)27-21(29)15-30-23-26-19-11-4-5-12-20(19)28(23)14-13-16-7-2-1-3-8-16/h1-12H,13-15H2,(H,27,29).
What are the key properties of N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide?
N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 456.40 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4850532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).