4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one

C24H30N4O2 — CID 91900329

IUPAC4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one
SMILESCCCn1c(O)cn(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)c1=O
InChIInChI=1S/C24H30N4O2/c1-2-13-28-23(29)18-27(24(28)30)16-19-9-11-20(12-10-19)22-8-6-7-21(25-22)17-26-14-4-3-5-15-26/h6-12,18,29H,2-5,13-17H2,1H3
InChIKeyQMTCQHYBEKHBKC-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.86
Rot. Bonds7

About 4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one

4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one (PubChem CID 91900329) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one
PubChem CID91900329
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one
SMILESCCCn1c(O)cn(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)c1=O
InChIInChI=1S/C24H30N4O2/c1-2-13-28-23(29)18-27(24(28)30)16-19-9-11-20(12-10-19)22-8-6-7-21(25-22)17-26-14-4-3-5-15-26/h6-12,18,29H,2-5,13-17H2,1H3
InChIKeyQMTCQHYBEKHBKC-UHFFFAOYSA-N
XLogP3.86
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one?
The IUPAC name of 4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one (CID 91900329) is 4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one?
The canonical SMILES for 4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one is CCCn1c(O)cn(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)c1=O.
What is the InChIKey of 4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one?
The InChIKey is QMTCQHYBEKHBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-2-13-28-23(29)18-27(24(28)30)16-19-9-11-20(12-10-19)22-8-6-7-21(25-22)17-26-14-4-3-5-15-26/h6-12,18,29H,2-5,13-17H2,1H3.
What are the key properties of 4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one?
4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 91900329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).