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

C24H17FN4O2S — CID 1338238

IUPACN-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C24H17FN4O2S/c25-16-5-9-18(10-6-16)31-19-11-7-17(8-12-19)27-23(30)13-29-22-4-2-1-3-20(22)28-24(29)21-14-32-15-26-21/h1-12,14-15H,13H2,(H,27,30)
InChIKeyKDOSIQNZFVCMPS-UHFFFAOYSA-N
MW444.49 g/mol
LogP5.73
Rot. Bonds6

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

N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 1338238) has the molecular formula C24H17FN4O2S and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID1338238
Molecular FormulaC24H17FN4O2S
Molecular Weight444.49 g/mol
Exact Mass444.11
IUPAC NameN-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C24H17FN4O2S/c25-16-5-9-18(10-6-16)31-19-11-7-17(8-12-19)27-23(30)13-29-22-4-2-1-3-20(22)28-24(29)21-14-32-15-26-21/h1-12,14-15H,13H2,(H,27,30)
InChIKeyKDOSIQNZFVCMPS-UHFFFAOYSA-N
XLogP5.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.73
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-(difluoromethoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513923
N-(3-propoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 38825215
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
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-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032265
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 25433418
N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032599
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-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 1338238) is N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is KDOSIQNZFVCMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2S/c25-16-5-9-18(10-6-16)31-19-11-7-17(8-12-19)27-23(30)13-29-22-4-2-1-3-20(22)28-24(29)21-14-32-15-26-21/h1-12,14-15H,13H2,(H,27,30).
What are the key properties of N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 444.49 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)phenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 1338238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).