1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one

C21H27FN2O2 — CID 68903716

IUPAC1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one
SMILESCC1CN(C2C3CC4CC2C(c2ccccc2F)C(O)(C4)C3)C(=O)N1C
InChIInChI=1S/C21H27FN2O2/c1-12-11-24(20(25)23(12)2)19-14-7-13-8-16(19)18(21(26,9-13)10-14)15-5-3-4-6-17(15)22/h3-6,12-14,16,18-19,26H,7-11H2,1-2H3
InChIKeyNTDCJWLELAOAQQ-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.21
Rot. Bonds2

About 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one

1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one (PubChem CID 68903716) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one
PubChem CID68903716
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one
SMILESCC1CN(C2C3CC4CC2C(c2ccccc2F)C(O)(C4)C3)C(=O)N1C
InChIInChI=1S/C21H27FN2O2/c1-12-11-24(20(25)23(12)2)19-14-7-13-8-16(19)18(21(26,9-13)10-14)15-5-3-4-6-17(15)22/h3-6,12-14,16,18-19,26H,7-11H2,1-2H3
InChIKeyNTDCJWLELAOAQQ-UHFFFAOYSA-N
XLogP3.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one?
The IUPAC name of 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one (CID 68903716) is 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one is CC1CN(C2C3CC4CC2C(c2ccccc2F)C(O)(C4)C3)C(=O)N1C.
What is the InChIKey of 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one?
The InChIKey is NTDCJWLELAOAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-12-11-24(20(25)23(12)2)19-14-7-13-8-16(19)18(21(26,9-13)10-14)15-5-3-4-6-17(15)22/h3-6,12-14,16,18-19,26H,7-11H2,1-2H3.
What are the key properties of 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one?
1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one has a molecular weight of 358.46 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-5-hydroxy-2-adamantyl]-3,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 68903716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).