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

C20H17FN2S — CID 129161806

IUPAC6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
SMILESCc1ccc(Cn2c(-c3ccc(C)s3)nc3ccc(F)cc32)cc1
InChIInChI=1S/C20H17FN2S/c1-13-3-6-15(7-4-13)12-23-18-11-16(21)8-9-17(18)22-20(23)19-10-5-14(2)24-19/h3-11H,12H2,1-2H3
InChIKeyWEFLIOTVGVFASK-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.57
Rot. Bonds3

About 6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole

6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole (PubChem CID 129161806) has the molecular formula C20H17FN2S and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole.

Molecular Properties

Compound Name6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
PubChem CID129161806
Molecular FormulaC20H17FN2S
Molecular Weight336.44 g/mol
Exact Mass336.11
IUPAC Name6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole
SMILESCc1ccc(Cn2c(-c3ccc(C)s3)nc3ccc(F)cc32)cc1
InChIInChI=1S/C20H17FN2S/c1-13-3-6-15(7-4-13)12-23-18-11-16(21)8-9-17(18)22-20(23)19-10-5-14(2)24-19/h3-11H,12H2,1-2H3
InChIKeyWEFLIOTVGVFASK-UHFFFAOYSA-N
XLogP5.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole?
The IUPAC name of 6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole (CID 129161806) is 6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole.
What is the SMILES notation for 6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole?
The canonical SMILES for 6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole is Cc1ccc(Cn2c(-c3ccc(C)s3)nc3ccc(F)cc32)cc1.
What is the InChIKey of 6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole?
The InChIKey is WEFLIOTVGVFASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2S/c1-13-3-6-15(7-4-13)12-23-18-11-16(21)8-9-17(18)22-20(23)19-10-5-14(2)24-19/h3-11H,12H2,1-2H3.
What are the key properties of 6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole?
6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole has a molecular weight of 336.44 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(4-methylphenyl)methyl]-2-(5-methylthiophen-2-yl)benzimidazole is sourced from PubChem (CID 129161806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).