1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one

C22H20FN3O2 — CID 71660914

IUPAC1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCCc1nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2n1C
InChIInChI=1S/C22H20FN3O2/c1-3-21-24-19-9-8-17(12-20(19)25(21)2)26-11-10-18(13-22(26)27)28-14-15-4-6-16(23)7-5-15/h4-13H,3,14H2,1-2H3
InChIKeyUDLQRAVGQUJISV-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.00
Rot. Bonds5

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

1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one (PubChem CID 71660914) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
PubChem CID71660914
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
SMILESCCc1nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2n1C
InChIInChI=1S/C22H20FN3O2/c1-3-21-24-19-9-8-17(12-20(19)25(21)2)26-11-10-18(13-22(26)27)28-14-15-4-6-16(23)7-5-15/h4-13H,3,14H2,1-2H3
InChIKeyUDLQRAVGQUJISV-UHFFFAOYSA-N
XLogP4.00
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one (CID 71660914) is 1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one is CCc1nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2n1C.
What is the InChIKey of 1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
The InChIKey is UDLQRAVGQUJISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-3-21-24-19-9-8-17(12-20(19)25(21)2)26-11-10-18(13-22(26)27)28-14-15-4-6-16(23)7-5-15/h4-13H,3,14H2,1-2H3.
What are the key properties of 1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one?
1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one has a molecular weight of 377.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-methylbenzimidazol-5-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 71660914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).