1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one

C16H22ClN3O — CID 106869368

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
SMILESCc1ccc(CN2CCN(C3CCNCC3)C2=O)c(Cl)c1
InChIInChI=1S/C16H22ClN3O/c1-12-2-3-13(15(17)10-12)11-19-8-9-20(16(19)21)14-4-6-18-7-5-14/h2-3,10,14,18H,4-9,11H2,1H3
InChIKeyZANGYEJMAIRSAZ-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.64
Rot. Bonds3

About 1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one

1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one (PubChem CID 106869368) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
PubChem CID106869368
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
SMILESCc1ccc(CN2CCN(C3CCNCC3)C2=O)c(Cl)c1
InChIInChI=1S/C16H22ClN3O/c1-12-2-3-13(15(17)10-12)11-19-8-9-20(16(19)21)14-4-6-18-7-5-14/h2-3,10,14,18H,4-9,11H2,1H3
InChIKeyZANGYEJMAIRSAZ-UHFFFAOYSA-N
XLogP2.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one (CID 106869368) is 1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one is Cc1ccc(CN2CCN(C3CCNCC3)C2=O)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one?
The InChIKey is ZANGYEJMAIRSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-12-2-3-13(15(17)10-12)11-19-8-9-20(16(19)21)14-4-6-18-7-5-14/h2-3,10,14,18H,4-9,11H2,1H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one?
1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one has a molecular weight of 307.82 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 106869368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).