N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide

C20H14Cl2N4OS — CID 4273555

IUPACN-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C20H14Cl2N4OS/c21-13-10-15(22)19(23-11-13)25-18(27)12-28-20-24-16-8-4-5-9-17(16)26(20)14-6-2-1-3-7-14/h1-11H,12H2,(H,23,25,27)
InChIKeyYIJPEFNZZMASKU-UHFFFAOYSA-N
MW429.33 g/mol
LogP5.46
Rot. Bonds5

About N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide

N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 4273555) has the molecular formula C20H14Cl2N4OS and a molecular weight of 429.33 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID4273555
Molecular FormulaC20H14Cl2N4OS
Molecular Weight429.33 g/mol
Exact Mass428.03
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C20H14Cl2N4OS/c21-13-10-15(22)19(23-11-13)25-18(27)12-28-20-24-16-8-4-5-9-17(16)26(20)14-6-2-1-3-7-14/h1-11H,12H2,(H,23,25,27)
InChIKeyYIJPEFNZZMASKU-UHFFFAOYSA-N
XLogP5.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.33
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (CID 4273555) is N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is YIJPEFNZZMASKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4OS/c21-13-10-15(22)19(23-11-13)25-18(27)12-28-20-24-16-8-4-5-9-17(16)26(20)14-6-2-1-3-7-14/h1-11H,12H2,(H,23,25,27).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 429.33 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 4273555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).