2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid

C21H20N2O4 — CID 19702216

IUPAC2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CC(c2ccccc2)c2ccccc2)(C2CC2C(=O)O)N1
InChIInChI=1S/C21H20N2O4/c24-18(25)15-11-17(15)21(19(26)22-20(27)23-21)12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2,(H,24,25)(H2,22,23,26,27)
InChIKeyMYHAIFPSCQVFNW-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.51
Rot. Bonds6

About 2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid

2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 19702216) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
PubChem CID19702216
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid
SMILESO=C1NC(=O)C(CC(c2ccccc2)c2ccccc2)(C2CC2C(=O)O)N1
InChIInChI=1S/C21H20N2O4/c24-18(25)15-11-17(15)21(19(26)22-20(27)23-21)12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2,(H,24,25)(H2,22,23,26,27)
InChIKeyMYHAIFPSCQVFNW-UHFFFAOYSA-N
XLogP2.51
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid (CID 19702216) is 2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is O=C1NC(=O)C(CC(c2ccccc2)c2ccccc2)(C2CC2C(=O)O)N1.
What is the InChIKey of 2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is MYHAIFPSCQVFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-18(25)15-11-17(15)21(19(26)22-20(27)23-21)12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2,(H,24,25)(H2,22,23,26,27).
What are the key properties of 2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid?
2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-diphenylethyl)-2,5-dioxoimidazolidin-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 19702216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).