2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide

C19H14F2N4O2S — CID 16661601

IUPAC2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1nc(-c2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C19H14F2N4O2S/c20-18(21)27-13-7-5-12(6-8-13)15-10-28-19(23-15)24-17(26)9-25-11-22-14-3-1-2-4-16(14)25/h1-8,10-11,18H,9H2,(H,23,24,26)
InChIKeyCYAJRSKZHNVFIB-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.40
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide

2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 16661601) has the molecular formula C19H14F2N4O2S and a molecular weight of 400.41 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID16661601
Molecular FormulaC19H14F2N4O2S
Molecular Weight400.41 g/mol
Exact Mass400.08
IUPAC Name2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1nc(-c2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C19H14F2N4O2S/c20-18(21)27-13-7-5-12(6-8-13)15-10-28-19(23-15)24-17(26)9-25-11-22-14-3-1-2-4-16(14)25/h1-8,10-11,18H,9H2,(H,23,24,26)
InChIKeyCYAJRSKZHNVFIB-UHFFFAOYSA-N
XLogP4.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide (CID 16661601) is 2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide is O=C(Cn1cnc2ccccc21)Nc1nc(-c2ccc(OC(F)F)cc2)cs1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CYAJRSKZHNVFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2S/c20-18(21)27-13-7-5-12(6-8-13)15-10-28-19(23-15)24-17(26)9-25-11-22-14-3-1-2-4-16(14)25/h1-8,10-11,18H,9H2,(H,23,24,26).
What are the key properties of 2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 400.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16661601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).