N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

C18H11F3N4OS — CID 71455173

IUPACN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C18H11F3N4OS/c19-18(20,21)11-4-1-3-10(9-11)15-23-13-6-2-5-12(14(13)24-15)16(26)25-17-22-7-8-27-17/h1-9H,(H,23,24)(H,22,25,26)
InChIKeyBWJUPIMOAWVLFJ-UHFFFAOYSA-N
MW388.37 g/mol
LogP4.96
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 71455173) has the molecular formula C18H11F3N4OS and a molecular weight of 388.37 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID71455173
Molecular FormulaC18H11F3N4OS
Molecular Weight388.37 g/mol
Exact Mass388.06
IUPAC NameN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C18H11F3N4OS/c19-18(20,21)11-4-1-3-10(9-11)15-23-13-6-2-5-12(14(13)24-15)16(26)25-17-22-7-8-27-17/h1-9H,(H,23,24)(H,22,25,26)
InChIKeyBWJUPIMOAWVLFJ-UHFFFAOYSA-N
XLogP4.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 71455173) is N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1nccs1)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is BWJUPIMOAWVLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4OS/c19-18(20,21)11-4-1-3-10(9-11)15-23-13-6-2-5-12(14(13)24-15)16(26)25-17-22-7-8-27-17/h1-9H,(H,23,24)(H,22,25,26).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71455173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).