4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one

C28H29N3O4 — CID 91971094

IUPAC4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one
SMILESCOc1cc(-n2c(O)cn(-c3ccc(-c4ccccc4)cc3)c2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C28H29N3O4/c1-34-26-19-24(13-14-25(26)35-18-17-29-15-5-6-16-29)31-27(32)20-30(28(31)33)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
InChIKeyXHOQONPTFGYYHH-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.48
Rot. Bonds8

About 4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one

4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one (PubChem CID 91971094) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one
PubChem CID91971094
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one
SMILESCOc1cc(-n2c(O)cn(-c3ccc(-c4ccccc4)cc3)c2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C28H29N3O4/c1-34-26-19-24(13-14-25(26)35-18-17-29-15-5-6-16-29)31-27(32)20-30(28(31)33)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3
InChIKeyXHOQONPTFGYYHH-UHFFFAOYSA-N
XLogP4.48
TPSA68.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one?
The IUPAC name of 4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one (CID 91971094) is 4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one?
The canonical SMILES for 4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one is COc1cc(-n2c(O)cn(-c3ccc(-c4ccccc4)cc3)c2=O)ccc1OCCN1CCCC1.
What is the InChIKey of 4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one?
The InChIKey is XHOQONPTFGYYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-34-26-19-24(13-14-25(26)35-18-17-29-15-5-6-16-29)31-27(32)20-30(28(31)33)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3.
What are the key properties of 4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one?
4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one has a molecular weight of 471.56 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one is sourced from PubChem (CID 91971094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).