1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one

C25H23FN4O2 — CID 91947124

IUPAC1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
SMILESCn1c(C2CCCN(C(=O)c3ccc(=O)n(-c4ccc(F)cc4)c3)C2)nc2ccccc21
InChIInChI=1S/C25H23FN4O2/c1-28-22-7-3-2-6-21(22)27-24(28)17-5-4-14-29(15-17)25(32)18-8-13-23(31)30(16-18)20-11-9-19(26)10-12-20/h2-3,6-13,16-17H,4-5,14-15H2,1H3
InChIKeyKGPNATOSPDTCBX-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.88
Rot. Bonds3

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

1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 91947124) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
PubChem CID91947124
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one
SMILESCn1c(C2CCCN(C(=O)c3ccc(=O)n(-c4ccc(F)cc4)c3)C2)nc2ccccc21
InChIInChI=1S/C25H23FN4O2/c1-28-22-7-3-2-6-21(22)27-24(28)17-5-4-14-29(15-17)25(32)18-8-13-23(31)30(16-18)20-11-9-19(26)10-12-20/h2-3,6-13,16-17H,4-5,14-15H2,1H3
InChIKeyKGPNATOSPDTCBX-UHFFFAOYSA-N
XLogP3.88
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975918
(3,4-diethoxyphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947166
1-(4-fluorophenyl)-5-[3-(methoxymethyl)piperidine-1-carbonyl]pyridin-2-one
CID 71975351
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
6-(4-fluorophenyl)-1-methyl-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-2-one
CID 91947066
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 46975714
(2-chloro-5-pyrazol-1-ylphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975354
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947084

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one (CID 91947124) is 1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one is Cn1c(C2CCCN(C(=O)c3ccc(=O)n(-c4ccc(F)cc4)c3)C2)nc2ccccc21.
What is the InChIKey of 1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is KGPNATOSPDTCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-28-22-7-3-2-6-21(22)27-24(28)17-5-4-14-29(15-17)25(32)18-8-13-23(31)30(16-18)20-11-9-19(26)10-12-20/h2-3,6-13,16-17H,4-5,14-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one?
1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 430.48 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[3-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 91947124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).