1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one

C22H26N4O2 — CID 56868374

IUPAC1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCn1c(-c2ccc(CN3CCC(N4CCCC4=O)CC3)o2)nc2ccccc21
InChIInChI=1S/C22H26N4O2/c1-24-19-6-3-2-5-18(19)23-22(24)20-9-8-17(28-20)15-25-13-10-16(11-14-25)26-12-4-7-21(26)27/h2-3,5-6,8-9,16H,4,7,10-15H2,1H3
InChIKeyXDUZKSSWLSUOKG-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.42
Rot. Bonds4

About 1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 56868374) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID56868374
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCn1c(-c2ccc(CN3CCC(N4CCCC4=O)CC3)o2)nc2ccccc21
InChIInChI=1S/C22H26N4O2/c1-24-19-6-3-2-5-18(19)23-22(24)20-9-8-17(28-20)15-25-13-10-16(11-14-25)26-12-4-7-21(26)27/h2-3,5-6,8-9,16H,4,7,10-15H2,1H3
InChIKeyXDUZKSSWLSUOKG-UHFFFAOYSA-N
XLogP3.42
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one (CID 56868374) is 1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one is Cn1c(-c2ccc(CN3CCC(N4CCCC4=O)CC3)o2)nc2ccccc21.
What is the InChIKey of 1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is XDUZKSSWLSUOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-24-19-6-3-2-5-18(19)23-22(24)20-9-8-17(28-20)15-25-13-10-16(11-14-25)26-12-4-7-21(26)27/h2-3,5-6,8-9,16H,4,7,10-15H2,1H3.
What are the key properties of 1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 378.48 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 56868374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).