4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one

C21H26F2N2O2 — CID 57495589

IUPAC4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one
SMILESCC1(c2ccc(F)c(F)c2)CN(C2C3CC4CC2CC(CO)(C4)C3)C(=O)N1
InChIInChI=1S/C21H26F2N2O2/c1-20(15-2-3-16(22)17(23)6-15)10-25(19(27)24-20)18-13-4-12-5-14(18)9-21(7-12,8-13)11-26/h2-3,6,12-14,18,26H,4-5,7-11H2,1H3,(H,24,27)
InChIKeyONJVUBNUNTWZAW-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.39
Rot. Bonds3

About 4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one

4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one (PubChem CID 57495589) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one
PubChem CID57495589
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one
SMILESCC1(c2ccc(F)c(F)c2)CN(C2C3CC4CC2CC(CO)(C4)C3)C(=O)N1
InChIInChI=1S/C21H26F2N2O2/c1-20(15-2-3-16(22)17(23)6-15)10-25(19(27)24-20)18-13-4-12-5-14(18)9-21(7-12,8-13)11-26/h2-3,6,12-14,18,26H,4-5,7-11H2,1H3,(H,24,27)
InChIKeyONJVUBNUNTWZAW-UHFFFAOYSA-N
XLogP3.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one (CID 57495589) is 4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one is CC1(c2ccc(F)c(F)c2)CN(C2C3CC4CC2CC(CO)(C4)C3)C(=O)N1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one?
The InChIKey is ONJVUBNUNTWZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c1-20(15-2-3-16(22)17(23)6-15)10-25(19(27)24-20)18-13-4-12-5-14(18)9-21(7-12,8-13)11-26/h2-3,6,12-14,18,26H,4-5,7-11H2,1H3,(H,24,27).
What are the key properties of 4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one?
4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one has a molecular weight of 376.45 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1-[5-(hydroxymethyl)-2-adamantyl]-4-methylimidazolidin-2-one is sourced from PubChem (CID 57495589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).