1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione

C33H33N5O5 — CID 25062532

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione
SMILESCOc1ccc(C(C)(C)C)cc1N1C(=O)C(=O)N(c2ccc(Oc3ccnc(N4CCCCC4)n3)c3ccccc23)C1=O
InChIInChI=1S/C33H33N5O5/c1-33(2,3)21-12-14-27(42-4)25(20-21)38-30(40)29(39)37(32(38)41)24-13-15-26(23-11-7-6-10-22(23)24)43-28-16-17-34-31(35-28)36-18-8-5-9-19-36/h6-7,10-17,20H,5,8-9,18-19H2,1-4H3
InChIKeyQMJFLPCFJWVFBL-UHFFFAOYSA-N
MW579.66 g/mol
LogP6.22
Rot. Bonds6

About 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione

1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione (PubChem CID 25062532) has the molecular formula C33H33N5O5 and a molecular weight of 579.66 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione
PubChem CID25062532
Molecular FormulaC33H33N5O5
Molecular Weight579.66 g/mol
Exact Mass579.25
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione
SMILESCOc1ccc(C(C)(C)C)cc1N1C(=O)C(=O)N(c2ccc(Oc3ccnc(N4CCCCC4)n3)c3ccccc23)C1=O
InChIInChI=1S/C33H33N5O5/c1-33(2,3)21-12-14-27(42-4)25(20-21)38-30(40)29(39)37(32(38)41)24-13-15-26(23-11-7-6-10-22(23)24)43-28-16-17-34-31(35-28)36-18-8-5-9-19-36/h6-7,10-17,20H,5,8-9,18-19H2,1-4H3
InChIKeyQMJFLPCFJWVFBL-UHFFFAOYSA-N
XLogP6.22
TPSA105.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.66
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione (CID 25062532) is 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione is COc1ccc(C(C)(C)C)cc1N1C(=O)C(=O)N(c2ccc(Oc3ccnc(N4CCCCC4)n3)c3ccccc23)C1=O.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione?
The InChIKey is QMJFLPCFJWVFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O5/c1-33(2,3)21-12-14-27(42-4)25(20-21)38-30(40)29(39)37(32(38)41)24-13-15-26(23-11-7-6-10-22(23)24)43-28-16-17-34-31(35-28)36-18-8-5-9-19-36/h6-7,10-17,20H,5,8-9,18-19H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione?
1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione has a molecular weight of 579.66 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-(2-piperidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 25062532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).