1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one

C20H26N4O — CID 84596082

IUPAC1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
SMILESCc1ccc2nc(C3CCCN(C4CCN(C5CC5)C4=O)C3)[nH]c2c1
InChIInChI=1S/C20H26N4O/c1-13-4-7-16-17(11-13)22-19(21-16)14-3-2-9-23(12-14)18-8-10-24(20(18)25)15-5-6-15/h4,7,11,14-15,18H,2-3,5-6,8-10,12H2,1H3,(H,21,22)
InChIKeyJZVVMKUCLPCLNV-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.81
Rot. Bonds3

About 1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one

1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one (PubChem CID 84596082) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
PubChem CID84596082
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
SMILESCc1ccc2nc(C3CCCN(C4CCN(C5CC5)C4=O)C3)[nH]c2c1
InChIInChI=1S/C20H26N4O/c1-13-4-7-16-17(11-13)22-19(21-16)14-3-2-9-23(12-14)18-8-10-24(20(18)25)15-5-6-15/h4,7,11,14-15,18H,2-3,5-6,8-10,12H2,1H3,(H,21,22)
InChIKeyJZVVMKUCLPCLNV-UHFFFAOYSA-N
XLogP2.81
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one (CID 84596082) is 1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one is Cc1ccc2nc(C3CCCN(C4CCN(C5CC5)C4=O)C3)[nH]c2c1.
What is the InChIKey of 1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is JZVVMKUCLPCLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-4-7-16-17(11-13)22-19(21-16)14-3-2-9-23(12-14)18-8-10-24(20(18)25)15-5-6-15/h4,7,11,14-15,18H,2-3,5-6,8-10,12H2,1H3,(H,21,22).
What are the key properties of 1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one?
1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 338.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 84596082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).