2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole

C21H13FN2S2 — CID 102497600

IUPAC2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole
SMILESFc1cccc(-c2nc3c(-c4cccs4)ccc(-c4cccs4)c3[nH]2)c1
InChIInChI=1S/C21H13FN2S2/c22-14-5-1-4-13(12-14)21-23-19-15(17-6-2-10-25-17)8-9-16(20(19)24-21)18-7-3-11-26-18/h1-12H,(H,23,24)
InChIKeyKXQVVBKFOSMYPH-UHFFFAOYSA-N
MW376.48 g/mol
LogP6.83
Rot. Bonds3

About 2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole

2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole (PubChem CID 102497600) has the molecular formula C21H13FN2S2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole
PubChem CID102497600
Molecular FormulaC21H13FN2S2
Molecular Weight376.48 g/mol
Exact Mass376.05
IUPAC Name2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole
SMILESFc1cccc(-c2nc3c(-c4cccs4)ccc(-c4cccs4)c3[nH]2)c1
InChIInChI=1S/C21H13FN2S2/c22-14-5-1-4-13(12-14)21-23-19-15(17-6-2-10-25-17)8-9-16(20(19)24-21)18-7-3-11-26-18/h1-12H,(H,23,24)
InChIKeyKXQVVBKFOSMYPH-UHFFFAOYSA-N
XLogP6.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22486407
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4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 142690098
4-fluoro-2-thiophen-2-yl-1H-benzimidazole
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4-chloro-2-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridine
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CID 3122497
2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione
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CID 61496475

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole?
The IUPAC name of 2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole (CID 102497600) is 2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole?
The canonical SMILES for 2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole is Fc1cccc(-c2nc3c(-c4cccs4)ccc(-c4cccs4)c3[nH]2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole?
The InChIKey is KXQVVBKFOSMYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2S2/c22-14-5-1-4-13(12-14)21-23-19-15(17-6-2-10-25-17)8-9-16(20(19)24-21)18-7-3-11-26-18/h1-12H,(H,23,24).
What are the key properties of 2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole?
2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole has a molecular weight of 376.48 g/mol, XLogP of 6.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4,7-dithiophen-2-yl-1H-benzimidazole is sourced from PubChem (CID 102497600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).