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

C22H26N4O2 — CID 91900328

IUPAC4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCn1c(O)cn(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)c1=O
InChIInChI=1S/C22H26N4O2/c1-24-21(27)16-26(22(24)28)14-17-8-10-18(11-9-17)20-7-5-6-19(23-20)15-25-12-3-2-4-13-25/h5-11,16,27H,2-4,12-15H2,1H3
InChIKeyTYMVUFPMZWGBRD-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.99
Rot. Bonds5

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

4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (PubChem CID 91900328) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
PubChem CID91900328
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
SMILESCn1c(O)cn(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)c1=O
InChIInChI=1S/C22H26N4O2/c1-24-21(27)16-26(22(24)28)14-17-8-10-18(11-9-17)20-7-5-6-19(23-20)15-25-12-3-2-4-13-25/h5-11,16,27H,2-4,12-15H2,1H3
InChIKeyTYMVUFPMZWGBRD-UHFFFAOYSA-N
XLogP2.99
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one (CID 91900328) is 4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is Cn1c(O)cn(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)c1=O.
What is the InChIKey of 4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
The InChIKey is TYMVUFPMZWGBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-24-21(27)16-26(22(24)28)14-17-8-10-18(11-9-17)20-7-5-6-19(23-20)15-25-12-3-2-4-13-25/h5-11,16,27H,2-4,12-15H2,1H3.
What are the key properties of 4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one?
4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 91900328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).