4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one

C20H24ClFN2O2 — CID 57495581

IUPAC4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
SMILESCC1(c2ccc(F)c(Cl)c2)CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1
InChIInChI=1S/C20H24ClFN2O2/c1-19(14-2-3-16(22)15(21)6-14)10-24(18(25)23-19)17-12-4-11-5-13(17)9-20(26,7-11)8-12/h2-3,6,11-13,17,26H,4-5,7-10H2,1H3,(H,23,25)
InChIKeyOQQPWNKNKQPWKF-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.66
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one

4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one (PubChem CID 57495581) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
PubChem CID57495581
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC Name4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one
SMILESCC1(c2ccc(F)c(Cl)c2)CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1
InChIInChI=1S/C20H24ClFN2O2/c1-19(14-2-3-16(22)15(21)6-14)10-24(18(25)23-19)17-12-4-11-5-13(17)9-20(26,7-11)8-12/h2-3,6,11-13,17,26H,4-5,7-10H2,1H3,(H,23,25)
InChIKeyOQQPWNKNKQPWKF-UHFFFAOYSA-N
XLogP3.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one (CID 57495581) is 4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one is CC1(c2ccc(F)c(Cl)c2)CN(C2C3CC4CC2CC(O)(C4)C3)C(=O)N1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one?
The InChIKey is OQQPWNKNKQPWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O2/c1-19(14-2-3-16(22)15(21)6-14)10-24(18(25)23-19)17-12-4-11-5-13(17)9-20(26,7-11)8-12/h2-3,6,11-13,17,26H,4-5,7-10H2,1H3,(H,23,25).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one?
4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one has a molecular weight of 378.88 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-1-(5-hydroxy-2-adamantyl)-4-methylimidazolidin-2-one is sourced from PubChem (CID 57495581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).