1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one

C17H27ClN4O — CID 56866074

IUPAC1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
SMILESCCCCc1nc(Cl)c(CN2CCCC(N3CCCC3=O)C2)[nH]1
InChIInChI=1S/C17H27ClN4O/c1-2-3-7-15-19-14(17(18)20-15)12-21-9-4-6-13(11-21)22-10-5-8-16(22)23/h13H,2-12H2,1H3,(H,19,20)
InChIKeyCHDLHXVHZHSRNK-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.99
Rot. Bonds6

About 1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one

1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 56866074) has the molecular formula C17H27ClN4O and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
PubChem CID56866074
Molecular FormulaC17H27ClN4O
Molecular Weight338.88 g/mol
Exact Mass338.19
IUPAC Name1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
SMILESCCCCc1nc(Cl)c(CN2CCCC(N3CCCC3=O)C2)[nH]1
InChIInChI=1S/C17H27ClN4O/c1-2-3-7-15-19-14(17(18)20-15)12-21-9-4-6-13(11-21)22-10-5-8-16(22)23/h13H,2-12H2,1H3,(H,19,20)
InChIKeyCHDLHXVHZHSRNK-UHFFFAOYSA-N
XLogP2.99
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one (CID 56866074) is 1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one is CCCCc1nc(Cl)c(CN2CCCC(N3CCCC3=O)C2)[nH]1.
What is the InChIKey of 1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is CHDLHXVHZHSRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O/c1-2-3-7-15-19-14(17(18)20-15)12-21-9-4-6-13(11-21)22-10-5-8-16(22)23/h13H,2-12H2,1H3,(H,19,20).
What are the key properties of 1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 338.88 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 56866074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).