1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

C19H24N4O2 — CID 110244580

IUPAC1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CCCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H24N4O2/c24-17-9-5-11-22(17)13-10-18(25)23-12-4-3-8-16(23)19-20-14-6-1-2-7-15(14)21-19/h1-2,6-7,16H,3-5,8-13H2,(H,20,21)
InChIKeyMBPZTITZJJNQMQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.63
Rot. Bonds4

About 1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 110244580) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
PubChem CID110244580
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CCCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H24N4O2/c24-17-9-5-11-22(17)13-10-18(25)23-12-4-3-8-16(23)19-20-14-6-1-2-7-15(14)21-19/h1-2,6-7,16H,3-5,8-13H2,(H,20,21)
InChIKeyMBPZTITZJJNQMQ-UHFFFAOYSA-N
XLogP2.63
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
3-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72929082
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 92512790
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 51269977
1-[4-[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-4-hydroxy-6-methylpyridin-2-one
CID 124875916
1-[4-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-4-hydroxy-6-methylpyridin-2-one
CID 110204839
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
(4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 124876799
1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110219169

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (CID 110244580) is 1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is O=C1CCCN1CCC(=O)N1CCCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is MBPZTITZJJNQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-17-9-5-11-22(17)13-10-18(25)23-12-4-3-8-16(23)19-20-14-6-1-2-7-15(14)21-19/h1-2,6-7,16H,3-5,8-13H2,(H,20,21).
What are the key properties of 1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 340.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 110244580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).