4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid

C25H28N2O3 — CID 142761153

IUPAC4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid
SMILESCC1(c2ccc3ccccc3c2)CN(C2C3CC4CC2CC(C(=O)O)(C4)C3)C(=O)N1
InChIInChI=1S/C25H28N2O3/c1-24(20-7-6-16-4-2-3-5-17(16)10-20)14-27(23(30)26-24)21-18-8-15-9-19(21)13-25(11-15,12-18)22(28)29/h2-7,10,15,18-19,21H,8-9,11-14H2,1H3,(H,26,30)(H,28,29)
InChIKeyXTBOUHXMYRLPGN-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.36
Rot. Bonds3

About 4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid

4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid (PubChem CID 142761153) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid
PubChem CID142761153
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid
SMILESCC1(c2ccc3ccccc3c2)CN(C2C3CC4CC2CC(C(=O)O)(C4)C3)C(=O)N1
InChIInChI=1S/C25H28N2O3/c1-24(20-7-6-16-4-2-3-5-17(16)10-20)14-27(23(30)26-24)21-18-8-15-9-19(21)13-25(11-15,12-18)22(28)29/h2-7,10,15,18-19,21H,8-9,11-14H2,1H3,(H,26,30)(H,28,29)
InChIKeyXTBOUHXMYRLPGN-UHFFFAOYSA-N
XLogP4.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid?
The IUPAC name of 4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid (CID 142761153) is 4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid.
What is the SMILES notation for 4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid?
The canonical SMILES for 4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid is CC1(c2ccc3ccccc3c2)CN(C2C3CC4CC2CC(C(=O)O)(C4)C3)C(=O)N1.
What is the InChIKey of 4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid?
The InChIKey is XTBOUHXMYRLPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-24(20-7-6-16-4-2-3-5-17(16)10-20)14-27(23(30)26-24)21-18-8-15-9-19(21)13-25(11-15,12-18)22(28)29/h2-7,10,15,18-19,21H,8-9,11-14H2,1H3,(H,26,30)(H,28,29).
What are the key properties of 4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid?
4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid has a molecular weight of 404.51 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-4-naphthalen-2-yl-2-oxoimidazolidin-1-yl)adamantane-1-carboxylic acid is sourced from PubChem (CID 142761153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).