4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one

C16H22N4O2 — CID 91258588

IUPAC4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one
SMILESCN1CCN(c2ccc(Cn3cc(O)n(C)c3=O)cc2)CC1
InChIInChI=1S/C16H22N4O2/c1-17-7-9-19(10-8-17)14-5-3-13(4-6-14)11-20-12-15(21)18(2)16(20)22/h3-6,12,21H,7-11H2,1-2H3
InChIKeyNARNMHLPLRCKLG-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.69
Rot. Bonds3

About 4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one

4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one (PubChem CID 91258588) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one
PubChem CID91258588
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one
SMILESCN1CCN(c2ccc(Cn3cc(O)n(C)c3=O)cc2)CC1
InChIInChI=1S/C16H22N4O2/c1-17-7-9-19(10-8-17)14-5-3-13(4-6-14)11-20-12-15(21)18(2)16(20)22/h3-6,12,21H,7-11H2,1-2H3
InChIKeyNARNMHLPLRCKLG-UHFFFAOYSA-N
XLogP0.69
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol
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1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione
CID 91202663
4-hydroxy-3-methyl-1-[[4-[6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]imidazol-2-one
CID 91900328
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 82538094
4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,4-diazepane-1-carboxylic acid
CID 175592709
4-(azepan-1-ylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53278710
4-(4-methylpiperazin-1-yl)benzoyl chloride;hydrochloride
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[4-(4-methylpiperazin-1-yl)phenyl]methylhydrazine
CID 126609483
4-[methyl-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]amino]butan-2-one
CID 167537986

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one (CID 91258588) is 4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one is CN1CCN(c2ccc(Cn3cc(O)n(C)c3=O)cc2)CC1.
What is the InChIKey of 4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one?
The InChIKey is NARNMHLPLRCKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-17-7-9-19(10-8-17)14-5-3-13(4-6-14)11-20-12-15(21)18(2)16(20)22/h3-6,12,21H,7-11H2,1-2H3.
What are the key properties of 4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one?
4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one has a molecular weight of 302.38 g/mol, XLogP of 0.69, 3 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-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 91258588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).