1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione

C23H31F3N2O4 — CID 122180565

IUPAC1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione
SMILESCCCc1c(OCCCCN2C(=O)N(C)C(C)(C)C2=O)ccc2c1OCCC2C(F)(F)F
InChIInChI=1S/C23H31F3N2O4/c1-5-8-16-18(10-9-15-17(23(24,25)26)11-14-32-19(15)16)31-13-7-6-12-28-20(29)22(2,3)27(4)21(28)30/h9-10,17H,5-8,11-14H2,1-4H3
InChIKeyWQAUTIGHUZYURS-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.90
Rot. Bonds8

About 1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione

1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione (PubChem CID 122180565) has the molecular formula C23H31F3N2O4 and a molecular weight of 456.51 g/mol. Its IUPAC name is 1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione
PubChem CID122180565
Molecular FormulaC23H31F3N2O4
Molecular Weight456.51 g/mol
Exact Mass456.22
IUPAC Name1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione
SMILESCCCc1c(OCCCCN2C(=O)N(C)C(C)(C)C2=O)ccc2c1OCCC2C(F)(F)F
InChIInChI=1S/C23H31F3N2O4/c1-5-8-16-18(10-9-15-17(23(24,25)26)11-14-32-19(15)16)31-13-7-6-12-28-20(29)22(2,3)27(4)21(28)30/h9-10,17H,5-8,11-14H2,1-4H3
InChIKeyWQAUTIGHUZYURS-UHFFFAOYSA-N
XLogP4.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione?
The IUPAC name of 1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione (CID 122180565) is 1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione?
The canonical SMILES for 1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione is CCCc1c(OCCCCN2C(=O)N(C)C(C)(C)C2=O)ccc2c1OCCC2C(F)(F)F.
What is the InChIKey of 1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione?
The InChIKey is WQAUTIGHUZYURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N2O4/c1-5-8-16-18(10-9-15-17(23(24,25)26)11-14-32-19(15)16)31-13-7-6-12-28-20(29)22(2,3)27(4)21(28)30/h9-10,17H,5-8,11-14H2,1-4H3.
What are the key properties of 1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione?
1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione has a molecular weight of 456.51 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-3-[4-[[8-propyl-4-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-yl]oxy]butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 122180565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).