5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one

C19H18FN3O2 — CID 167948673

IUPAC5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(-c3ccc(N4CCCCC4=O)c(F)c3)cc21
InChIInChI=1S/C19H18FN3O2/c1-22-17-11-13(5-7-15(17)21-19(22)25)12-6-8-16(14(20)10-12)23-9-3-2-4-18(23)24/h5-8,10-11H,2-4,9H2,1H3,(H,21,25)
InChIKeyWBKQKGIOYOYOML-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.19
Rot. Bonds2

About 5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one

5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one (PubChem CID 167948673) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one
PubChem CID167948673
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(-c3ccc(N4CCCCC4=O)c(F)c3)cc21
InChIInChI=1S/C19H18FN3O2/c1-22-17-11-13(5-7-15(17)21-19(22)25)12-6-8-16(14(20)10-12)23-9-3-2-4-18(23)24/h5-8,10-11H,2-4,9H2,1H3,(H,21,25)
InChIKeyWBKQKGIOYOYOML-UHFFFAOYSA-N
XLogP3.19
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 58845272
1-[4-(bromomethyl)-2-fluorophenyl]piperidin-2-one
CID 169448638
1-(2-fluoro-4-iodophenyl)pyrrolidin-2-one
CID 142682975
1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one
CID 118084663
8-fluoro-7-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 167799916
3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde
CID 4165533
3-[2-chloro-3-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171846438
1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one
CID 166166725
1-(4-fluoro-2-iodophenyl)azepan-2-one
CID 79765997
methyl 3-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzoate
CID 165172104
1-(2,3-difluorophenyl)azepan-2-one
CID 141144880
1-(5-bromo-4-fluoro-2-methylphenyl)piperidin-2-one
CID 107592762

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one (CID 167948673) is 5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2ccc(-c3ccc(N4CCCCC4=O)c(F)c3)cc21.
What is the InChIKey of 5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one?
The InChIKey is WBKQKGIOYOYOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-22-17-11-13(5-7-15(17)21-19(22)25)12-6-8-16(14(20)10-12)23-9-3-2-4-18(23)24/h5-8,10-11H,2-4,9H2,1H3,(H,21,25).
What are the key properties of 5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one?
5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one has a molecular weight of 339.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 167948673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).