3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one

C21H18FN3O — CID 1487321

IUPAC3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one
SMILESCc1cc2nc(-c3ccc[nH]c3=O)n(Cc3ccccc3F)c2cc1C
InChIInChI=1S/C21H18FN3O/c1-13-10-18-19(11-14(13)2)25(12-15-6-3-4-8-17(15)22)20(24-18)16-7-5-9-23-21(16)26/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyXCDYIBXBBHXYFW-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.20
Rot. Bonds3

About 3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one

3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one (PubChem CID 1487321) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one
PubChem CID1487321
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one
SMILESCc1cc2nc(-c3ccc[nH]c3=O)n(Cc3ccccc3F)c2cc1C
InChIInChI=1S/C21H18FN3O/c1-13-10-18-19(11-14(13)2)25(12-15-6-3-4-8-17(15)22)20(24-18)16-7-5-9-23-21(16)26/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyXCDYIBXBBHXYFW-UHFFFAOYSA-N
XLogP4.20
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one (CID 1487321) is 3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one is Cc1cc2nc(-c3ccc[nH]c3=O)n(Cc3ccccc3F)c2cc1C.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one?
The InChIKey is XCDYIBXBBHXYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-13-10-18-19(11-14(13)2)25(12-15-6-3-4-8-17(15)22)20(24-18)16-7-5-9-23-21(16)26/h3-11H,12H2,1-2H3,(H,23,26).
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one?
3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one has a molecular weight of 347.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 1487321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).