2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole

C20H16FN3O2S — CID 52944706

IUPAC2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole
SMILESCn1c(-c2ccc(-c3ccccc3F)nc2)nc2ccc(S(C)(=O)=O)cc21
InChIInChI=1S/C20H16FN3O2S/c1-24-19-11-14(27(2,25)26)8-10-18(19)23-20(24)13-7-9-17(22-12-13)15-5-3-4-6-16(15)21/h3-12H,1-2H3
InChIKeyNYVREAASLWTJIO-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.84
Rot. Bonds3

About 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole

2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole (PubChem CID 52944706) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole.

Molecular Properties

Compound Name2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole
PubChem CID52944706
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole
SMILESCn1c(-c2ccc(-c3ccccc3F)nc2)nc2ccc(S(C)(=O)=O)cc21
InChIInChI=1S/C20H16FN3O2S/c1-24-19-11-14(27(2,25)26)8-10-18(19)23-20(24)13-7-9-17(22-12-13)15-5-3-4-6-16(15)21/h3-12H,1-2H3
InChIKeyNYVREAASLWTJIO-UHFFFAOYSA-N
XLogP3.84
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole?
The IUPAC name of 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole (CID 52944706) is 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole.
What is the SMILES notation for 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole?
The canonical SMILES for 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole is Cn1c(-c2ccc(-c3ccccc3F)nc2)nc2ccc(S(C)(=O)=O)cc21.
What is the InChIKey of 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole?
The InChIKey is NYVREAASLWTJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-24-19-11-14(27(2,25)26)8-10-18(19)23-20(24)13-7-9-17(22-12-13)15-5-3-4-6-16(15)21/h3-12H,1-2H3.
What are the key properties of 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole?
2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole has a molecular weight of 381.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluorophenyl)-3-pyridinyl]-1-methyl-6-methylsulfonylbenzimidazole is sourced from PubChem (CID 52944706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).