1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one

C18H23FN4O — CID 56863769

IUPAC1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(CCc2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C18H23FN4O/c19-13-3-4-15-16(12-13)21-17(20-15)7-11-22-9-5-14(6-10-22)23-8-1-2-18(23)24/h3-4,12,14H,1-2,5-11H2,(H,20,21)
InChIKeyCWMPDEIKZAEMAA-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.33
Rot. Bonds4

About 1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 56863769) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID56863769
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(CCc2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C18H23FN4O/c19-13-3-4-15-16(12-13)21-17(20-15)7-11-22-9-5-14(6-10-22)23-8-1-2-18(23)24/h3-4,12,14H,1-2,5-11H2,(H,20,21)
InChIKeyCWMPDEIKZAEMAA-UHFFFAOYSA-N
XLogP2.33
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-2-one
CID 74241962
1-[1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 122138464
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one
CID 138384460
1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxy-6-methylpyridin-2-one
CID 134716801
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 95204074
(3aR,5R,6R,7aS)-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172664924
1-ethyl-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
CID 126431490
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 74240102

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one (CID 56863769) is 1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(CCc2nc3ccc(F)cc3[nH]2)CC1.
What is the InChIKey of 1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is CWMPDEIKZAEMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-13-3-4-15-16(12-13)21-17(20-15)7-11-22-9-5-14(6-10-22)23-8-1-2-18(23)24/h3-4,12,14H,1-2,5-11H2,(H,20,21).
What are the key properties of 1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 330.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 56863769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).