1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one

C19H19FN4O2 — CID 95868023

IUPAC1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H19FN4O2/c20-13-6-7-14-15(12-13)22-19(21-14)16-4-3-10-24(16)18(26)8-11-23-9-2-1-5-17(23)25/h1-2,5-7,9,12,16H,3-4,8,10-11H2,(H,21,22)/t16-/m0/s1
InChIKeyYJQSAMWPFMDSBE-INIZCTEOSA-N
MW354.38 g/mol
LogP2.62
Rot. Bonds4

About 1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 95868023) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID95868023
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H19FN4O2/c20-13-6-7-14-15(12-13)22-19(21-14)16-4-3-10-24(16)18(26)8-11-23-9-2-1-5-17(23)25/h1-2,5-7,9,12,16H,3-4,8,10-11H2,(H,21,22)/t16-/m0/s1
InChIKeyYJQSAMWPFMDSBE-INIZCTEOSA-N
XLogP2.62
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 70779196
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 70727782
3-[2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95872803
1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 99945467
5-[2-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 95861367
3-(2-fluorophenyl)-1-[(2S)-2-[6-[4-[2-[(2S)-1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 67889147
(3aR,7aR)-2-[3-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124787208
6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 146024712
1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 125172884
1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 118780655
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 70850795

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 95868023) is 1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is YJQSAMWPFMDSBE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-13-6-7-14-15(12-13)22-19(21-14)16-4-3-10-24(16)18(26)8-11-23-9-2-1-5-17(23)25/h1-2,5-7,9,12,16H,3-4,8,10-11H2,(H,21,22)/t16-/m0/s1.
What are the key properties of 1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 354.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 95868023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).