2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole

C19H14F3N3OS — CID 141437771

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole
SMILESFC(F)(F)c1cccc2[nH]c(N3C=CSC3c3ccc4c(c3)CCO4)nc12
InChIInChI=1S/C19H14F3N3OS/c20-19(21,22)13-2-1-3-14-16(13)24-18(23-14)25-7-9-27-17(25)12-4-5-15-11(10-12)6-8-26-15/h1-5,7,9-10,17H,6,8H2,(H,23,24)
InChIKeyAHKHZICLUYSQIX-UHFFFAOYSA-N
MW389.40 g/mol
LogP5.24
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole

2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole (PubChem CID 141437771) has the molecular formula C19H14F3N3OS and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole
PubChem CID141437771
Molecular FormulaC19H14F3N3OS
Molecular Weight389.40 g/mol
Exact Mass389.08
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole
SMILESFC(F)(F)c1cccc2[nH]c(N3C=CSC3c3ccc4c(c3)CCO4)nc12
InChIInChI=1S/C19H14F3N3OS/c20-19(21,22)13-2-1-3-14-16(13)24-18(23-14)25-7-9-27-17(25)12-4-5-15-11(10-12)6-8-26-15/h1-5,7,9-10,17H,6,8H2,(H,23,24)
InChIKeyAHKHZICLUYSQIX-UHFFFAOYSA-N
XLogP5.24
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.40
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole
CID 141437779
[3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone
CID 141437777
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-[(1R)-1-naphthalen-1-ylethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 11339751
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine
CID 129367473
[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721133
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazolidine
CID 66244533
2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 43338491
2-piperidin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 70238368
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32891703
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
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4-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1-benzofuran;ethane
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole (CID 141437771) is 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole is FC(F)(F)c1cccc2[nH]c(N3C=CSC3c3ccc4c(c3)CCO4)nc12.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole?
The InChIKey is AHKHZICLUYSQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3OS/c20-19(21,22)13-2-1-3-14-16(13)24-18(23-14)25-7-9-27-17(25)12-4-5-15-11(10-12)6-8-26-15/h1-5,7,9-10,17H,6,8H2,(H,23,24).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole?
2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole has a molecular weight of 389.40 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole is sourced from PubChem (CID 141437771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).