1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole

C17H11F3N2OS — CID 46310175

IUPAC1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc(-c1cccs1)n2Cc1ccco1
InChIInChI=1S/C17H11F3N2OS/c18-17(19,20)11-5-6-14-13(9-11)21-16(15-4-2-8-24-15)22(14)10-12-3-1-7-23-12/h1-9H,10H2
InChIKeyYYYUETMSAJAGRL-UHFFFAOYSA-N
MW348.35 g/mol
LogP5.42
Rot. Bonds3

About 1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole

1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole (PubChem CID 46310175) has the molecular formula C17H11F3N2OS and a molecular weight of 348.35 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
PubChem CID46310175
Molecular FormulaC17H11F3N2OS
Molecular Weight348.35 g/mol
Exact Mass348.05
IUPAC Name1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2c(c1)nc(-c1cccs1)n2Cc1ccco1
InChIInChI=1S/C17H11F3N2OS/c18-17(19,20)11-5-6-14-13(9-11)21-16(15-4-2-8-24-15)22(14)10-12-3-1-7-23-12/h1-9H,10H2
InChIKeyYYYUETMSAJAGRL-UHFFFAOYSA-N
XLogP5.42
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.35
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole (CID 46310175) is 1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole is FC(F)(F)c1ccc2c(c1)nc(-c1cccs1)n2Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole?
The InChIKey is YYYUETMSAJAGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2OS/c18-17(19,20)11-5-6-14-13(9-11)21-16(15-4-2-8-24-15)22(14)10-12-3-1-7-23-12/h1-9H,10H2.
What are the key properties of 1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole?
1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole has a molecular weight of 348.35 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46310175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).