2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide

C26H19F2N5O2S — CID 135230222

IUPAC2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide
SMILESO=C(Nc1cccc(CSc2nc3ccccc3n2-c2ccccn2)n1)C(F)(F)Oc1ccccc1
InChIInChI=1S/C26H19F2N5O2S/c27-26(28,35-19-10-2-1-3-11-19)24(34)32-22-14-8-9-18(30-22)17-36-25-31-20-12-4-5-13-21(20)33(25)23-15-6-7-16-29-23/h1-16H,17H2,(H,30,32,34)
InChIKeyKLVLCIQNTFHQQQ-UHFFFAOYSA-N
MW503.53 g/mol
LogP5.72
Rot. Bonds8

About 2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide

2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide (PubChem CID 135230222) has the molecular formula C26H19F2N5O2S and a molecular weight of 503.53 g/mol. Its IUPAC name is 2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide
PubChem CID135230222
Molecular FormulaC26H19F2N5O2S
Molecular Weight503.53 g/mol
Exact Mass503.12
IUPAC Name2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide
SMILESO=C(Nc1cccc(CSc2nc3ccccc3n2-c2ccccn2)n1)C(F)(F)Oc1ccccc1
InChIInChI=1S/C26H19F2N5O2S/c27-26(28,35-19-10-2-1-3-11-19)24(34)32-22-14-8-9-18(30-22)17-36-25-31-20-12-4-5-13-21(20)33(25)23-15-6-7-16-29-23/h1-16H,17H2,(H,30,32,34)
InChIKeyKLVLCIQNTFHQQQ-UHFFFAOYSA-N
XLogP5.72
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.53
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide?
The IUPAC name of 2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide (CID 135230222) is 2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide is O=C(Nc1cccc(CSc2nc3ccccc3n2-c2ccccn2)n1)C(F)(F)Oc1ccccc1.
What is the InChIKey of 2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide?
The InChIKey is KLVLCIQNTFHQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O2S/c27-26(28,35-19-10-2-1-3-11-19)24(34)32-22-14-8-9-18(30-22)17-36-25-31-20-12-4-5-13-21(20)33(25)23-15-6-7-16-29-23/h1-16H,17H2,(H,30,32,34).
What are the key properties of 2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide?
2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide has a molecular weight of 503.53 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-phenoxy-N-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 135230222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).