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

C19H14F2N4O2S — CID 24513923

IUPACN-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H14F2N4O2S/c20-19(21)27-13-7-5-12(6-8-13)23-17(26)9-25-16-4-2-1-3-14(16)24-18(25)15-10-28-11-22-15/h1-8,10-11,19H,9H2,(H,23,26)
InChIKeyUAOMRJWZIIAQCW-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.40
Rot. Bonds6

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

N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 24513923) has the molecular formula C19H14F2N4O2S and a molecular weight of 400.41 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID24513923
Molecular FormulaC19H14F2N4O2S
Molecular Weight400.41 g/mol
Exact Mass400.08
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H14F2N4O2S/c20-19(21)27-13-7-5-12(6-8-13)23-17(26)9-25-16-4-2-1-3-14(16)24-18(25)15-10-28-11-22-15/h1-8,10-11,19H,9H2,(H,23,26)
InChIKeyUAOMRJWZIIAQCW-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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Related Compounds

N-(4-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513606
N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 1338238
N-(3-propoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 38825215
N-[4-(difluoromethoxy)phenyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142198
N-(2,4-dimethoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27445143
N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17408127
N-[(4-methylphenyl)methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17489928
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27769406
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27769405
N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 25433418
N-[[4-(sulfamoylmethyl)phenyl]methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 41388137

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 24513923) is N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is UAOMRJWZIIAQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2S/c20-19(21)27-13-7-5-12(6-8-13)23-17(26)9-25-16-4-2-1-3-14(16)24-18(25)15-10-28-11-22-15/h1-8,10-11,19H,9H2,(H,23,26).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-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 N-[4-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 24513923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).