1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one

C21H18FN3O2 — CID 71660917

IUPAC1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCc1nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2n1C
InChIInChI=1S/C21H18FN3O2/c1-14-23-19-8-7-17(11-20(19)24(14)2)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3
InChIKeyWSKXMIQVCMWHGL-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.75
Rot. Bonds4

About 1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one

1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 71660917) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID71660917
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCc1nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2n1C
InChIInChI=1S/C21H18FN3O2/c1-14-23-19-8-7-17(11-20(19)24(14)2)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3
InChIKeyWSKXMIQVCMWHGL-UHFFFAOYSA-N
XLogP3.75
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 71660917) is 1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one is Cc1nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2n1C.
What is the InChIKey of 1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is WSKXMIQVCMWHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-14-23-19-8-7-17(11-20(19)24(14)2)25-10-9-18(12-21(25)26)27-13-15-3-5-16(22)6-4-15/h3-12H,13H2,1-2H3.
What are the key properties of 1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 363.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 71660917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).