1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one

C20H25ClN2O — CID 141205331

IUPAC1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one
SMILESCC1(c2cccc(Cl)c2)CN(C2C3CC4CC(C3)CC2C4)C(=O)N1
InChIInChI=1S/C20H25ClN2O/c1-20(16-3-2-4-17(21)10-16)11-23(19(24)22-20)18-14-6-12-5-13(8-14)9-15(18)7-12/h2-4,10,12-15,18H,5-9,11H2,1H3,(H,22,24)
InChIKeyOPWVLBCYBAFIRA-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.41
Rot. Bonds2

About 1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one

1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one (PubChem CID 141205331) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one
PubChem CID141205331
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one
SMILESCC1(c2cccc(Cl)c2)CN(C2C3CC4CC(C3)CC2C4)C(=O)N1
InChIInChI=1S/C20H25ClN2O/c1-20(16-3-2-4-17(21)10-16)11-23(19(24)22-20)18-14-6-12-5-13(8-14)9-15(18)7-12/h2-4,10,12-15,18H,5-9,11H2,1H3,(H,22,24)
InChIKeyOPWVLBCYBAFIRA-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one?
The IUPAC name of 1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one (CID 141205331) is 1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one.
What is the SMILES notation for 1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one?
The canonical SMILES for 1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one is CC1(c2cccc(Cl)c2)CN(C2C3CC4CC(C3)CC2C4)C(=O)N1.
What is the InChIKey of 1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one?
The InChIKey is OPWVLBCYBAFIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-20(16-3-2-4-17(21)10-16)11-23(19(24)22-20)18-14-6-12-5-13(8-14)9-15(18)7-12/h2-4,10,12-15,18H,5-9,11H2,1H3,(H,22,24).
What are the key properties of 1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one?
1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one has a molecular weight of 344.89 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-(3-chlorophenyl)-4-methylimidazolidin-2-one is sourced from PubChem (CID 141205331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).