4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol

C43H45FN2O7 — CID 143652022

IUPAC4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol
SMILESCCC(O)c1ccc(F)cc1.CN1CC(c2ccc(-c3ccc(C4CC(O)[C@H](O)C(CO)O4)cc3)cc2O)N(c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C34H34N2O6.C9H11FO/c1-35-19-28(36(34(35)41)26-14-11-22(12-15-26)21-5-3-2-4-6-21)27-16-13-25(17-29(27)38)23-7-9-24(10-8-23)31-18-30(39)33(40)32(20-37)42-31;1-2-9(11)7-3-5-8(10)6-4-7/h2-17,28,30-33,37-40H,18-20H2,1H3;3-6,9,11H,2H2,1H3/t28?,30?,31?,32?,33-;/m0./s1
InChIKeyBACOLVZUIXZVKD-BQYHLOSYSA-N
MW720.84 g/mol
LogP7.15
Rot. Bonds8

About 4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol

4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol (PubChem CID 143652022) has the molecular formula C43H45FN2O7 and a molecular weight of 720.84 g/mol. Its IUPAC name is 4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol
PubChem CID143652022
Molecular FormulaC43H45FN2O7
Molecular Weight720.84 g/mol
Exact Mass720.32
IUPAC Name4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol
SMILESCCC(O)c1ccc(F)cc1.CN1CC(c2ccc(-c3ccc(C4CC(O)[C@H](O)C(CO)O4)cc3)cc2O)N(c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C34H34N2O6.C9H11FO/c1-35-19-28(36(34(35)41)26-14-11-22(12-15-26)21-5-3-2-4-6-21)27-16-13-25(17-29(27)38)23-7-9-24(10-8-23)31-18-30(39)33(40)32(20-37)42-31;1-2-9(11)7-3-5-8(10)6-4-7/h2-17,28,30-33,37-40H,18-20H2,1H3;3-6,9,11H,2H2,1H3/t28?,30?,31?,32?,33-;/m0./s1
InChIKeyBACOLVZUIXZVKD-BQYHLOSYSA-N
XLogP7.15
TPSA133.93 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.84
LogP ≤ 57.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol (CID 143652022) is 4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol is CCC(O)c1ccc(F)cc1.CN1CC(c2ccc(-c3ccc(C4CC(O)[C@H](O)C(CO)O4)cc3)cc2O)N(c2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of 4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol?
The InChIKey is BACOLVZUIXZVKD-BQYHLOSYSA-N. The full InChI is InChI=1S/C34H34N2O6.C9H11FO/c1-35-19-28(36(34(35)41)26-14-11-22(12-15-26)21-5-3-2-4-6-21)27-16-13-25(17-29(27)38)23-7-9-24(10-8-23)31-18-30(39)33(40)32(20-37)42-31;1-2-9(11)7-3-5-8(10)6-4-7/h2-17,28,30-33,37-40H,18-20H2,1H3;3-6,9,11H,2H2,1H3/t28?,30?,31?,32?,33-;/m0./s1.
What are the key properties of 4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol?
4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol has a molecular weight of 720.84 g/mol, XLogP of 7.15, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxyphenyl]-1-methyl-3-(4-phenylphenyl)imidazolidin-2-one;1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 143652022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).