5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione

C31H29F6N3O5 — CID 44538340

IUPAC5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc(OC4CC4)cc3)C2=O)c1
InChIInChI=1S/C31H29F6N3O5/c1-3-4-18-15-20(29(43,30(32,33)34)31(35,36)37)7-12-25(18)45-24-13-14-38-21(16-24)17-40-26(41)28(2,39-27(40)42)19-5-8-22(9-6-19)44-23-10-11-23/h5-9,12-16,23,43H,3-4,10-11,17H2,1-2H3,(H,39,42)
InChIKeyIANBTLQNESPJSJ-UHFFFAOYSA-N
MW637.58 g/mol
LogP6.65
Rot. Bonds10

About 5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione

5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 44538340) has the molecular formula C31H29F6N3O5 and a molecular weight of 637.58 g/mol. Its IUPAC name is 5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID44538340
Molecular FormulaC31H29F6N3O5
Molecular Weight637.58 g/mol
Exact Mass637.20
IUPAC Name5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc(OC4CC4)cc3)C2=O)c1
InChIInChI=1S/C31H29F6N3O5/c1-3-4-18-15-20(29(43,30(32,33)34)31(35,36)37)7-12-25(18)45-24-13-14-38-21(16-24)17-40-26(41)28(2,39-27(40)42)19-5-8-22(9-6-19)44-23-10-11-23/h5-9,12-16,23,43H,3-4,10-11,17H2,1-2H3,(H,39,42)
InChIKeyIANBTLQNESPJSJ-UHFFFAOYSA-N
XLogP6.65
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.58
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione (CID 44538340) is 5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc(OC4CC4)cc3)C2=O)c1.
What is the InChIKey of 5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is IANBTLQNESPJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F6N3O5/c1-3-4-18-15-20(29(43,30(32,33)34)31(35,36)37)7-12-25(18)45-24-13-14-38-21(16-24)17-40-26(41)28(2,39-27(40)42)19-5-8-22(9-6-19)44-23-10-11-23/h5-9,12-16,23,43H,3-4,10-11,17H2,1-2H3,(H,39,42).
What are the key properties of 5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 637.58 g/mol, XLogP of 6.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyloxyphenyl)-3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 44538340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).