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

C18H13FN4OS — CID 1266440

IUPACN-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1F
InChIInChI=1S/C18H13FN4OS/c19-12-5-1-2-6-13(12)21-17(24)9-23-16-8-4-3-7-14(16)22-18(23)15-10-25-11-20-15/h1-8,10-11H,9H2,(H,21,24)
InChIKeyKSOXYCXRFKLDEA-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.94
Rot. Bonds4

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

N-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 1266440) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID1266440
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC NameN-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1F
InChIInChI=1S/C18H13FN4OS/c19-12-5-1-2-6-13(12)21-17(24)9-23-16-8-4-3-7-14(16)22-18(23)15-10-25-11-20-15/h1-8,10-11H,9H2,(H,21,24)
InChIKeyKSOXYCXRFKLDEA-UHFFFAOYSA-N
XLogP3.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiabendazole
CID 5430
2-[2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazol-1-yl]acetic acid
CID 3000086
N-(4-Bromophenyl)-2-[2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]acetamide
CID 44602364
N-(4-Chlorophenyl)-2-[2-(1,3-thiazol-5-yl)-1H-benzimidazol-1-yl]acetamide
CID 612046
n-Methylthiabendazole
CID 612049
N-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)acetamide
CID 1117212
2-(1-methylimidazol-2-yl)sulfanyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide
CID 4262516
N-Phenethyl-2-(2-thiazol-5-yl-benzoimidazol-1-yl)-acetamide
CID 611858
N-(4-Chloro-phenyl)-2-(2-thiazol-4-yl-benzoimidazol-1-yl)-acetamide
CID 1139867
N-(2-naphthyl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)acetamide
CID 3984960
2-(2-thiazol-4-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9400179
1-benzyl-2-thiazol-4-yl-1H-benzoimidazole
CID 11208551

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 1266440) is N-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is KSOXYCXRFKLDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c19-12-5-1-2-6-13(12)21-17(24)9-23-16-8-4-3-7-14(16)22-18(23)15-10-25-11-20-15/h1-8,10-11H,9H2,(H,21,24).
What are the key properties of N-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 1266440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).