5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole

C19H14F2N2S — CID 129175478

IUPAC5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
SMILESCc1ccc(-c2nc3cc(F)ccc3n2Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H14F2N2S/c1-12-2-9-18(24-12)19-22-16-10-15(21)7-8-17(16)23(19)11-13-3-5-14(20)6-4-13/h2-10H,11H2,1H3
InChIKeySYKSNECHCSMUNJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP5.40
Rot. Bonds3

About 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole

5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole (PubChem CID 129175478) has the molecular formula C19H14F2N2S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole.

Molecular Properties

Compound Name5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
PubChem CID129175478
Molecular FormulaC19H14F2N2S
Molecular Weight340.40 g/mol
Exact Mass340.08
IUPAC Name5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
SMILESCc1ccc(-c2nc3cc(F)ccc3n2Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H14F2N2S/c1-12-2-9-18(24-12)19-22-16-10-15(21)7-8-17(16)23(19)11-13-3-5-14(20)6-4-13/h2-10H,11H2,1H3
InChIKeySYKSNECHCSMUNJ-UHFFFAOYSA-N
XLogP5.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.40
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole?
The IUPAC name of 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole (CID 129175478) is 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole.
What is the SMILES notation for 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole?
The canonical SMILES for 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole is Cc1ccc(-c2nc3cc(F)ccc3n2Cc2ccc(F)cc2)s1.
What is the InChIKey of 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole?
The InChIKey is SYKSNECHCSMUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2S/c1-12-2-9-18(24-12)19-22-16-10-15(21)7-8-17(16)23(19)11-13-3-5-14(20)6-4-13/h2-10H,11H2,1H3.
What are the key properties of 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole?
5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole has a molecular weight of 340.40 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole is sourced from PubChem (CID 129175478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).