3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one

C21H17N3O2 — CID 157220285

IUPAC3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one
SMILESC=C1C=C(c2c(-c3ccccc3)ncn2Cc2cccc(O)c2)C(=O)N1
InChIInChI=1S/C21H17N3O2/c1-14-10-18(21(26)23-14)20-19(16-7-3-2-4-8-16)22-13-24(20)12-15-6-5-9-17(25)11-15/h2-11,13,25H,1,12H2,(H,23,26)
InChIKeyGQPHRUONYBXUMN-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.33
Rot. Bonds4

About 3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one

3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one (PubChem CID 157220285) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one
PubChem CID157220285
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one
SMILESC=C1C=C(c2c(-c3ccccc3)ncn2Cc2cccc(O)c2)C(=O)N1
InChIInChI=1S/C21H17N3O2/c1-14-10-18(21(26)23-14)20-19(16-7-3-2-4-8-16)22-13-24(20)12-15-6-5-9-17(25)11-15/h2-11,13,25H,1,12H2,(H,23,26)
InChIKeyGQPHRUONYBXUMN-UHFFFAOYSA-N
XLogP3.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one?
The IUPAC name of 3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one (CID 157220285) is 3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one.
What is the SMILES notation for 3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one?
The canonical SMILES for 3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one is C=C1C=C(c2c(-c3ccccc3)ncn2Cc2cccc(O)c2)C(=O)N1.
What is the InChIKey of 3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one?
The InChIKey is GQPHRUONYBXUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-10-18(21(26)23-14)20-19(16-7-3-2-4-8-16)22-13-24(20)12-15-6-5-9-17(25)11-15/h2-11,13,25H,1,12H2,(H,23,26).
What are the key properties of 3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one?
3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one has a molecular weight of 343.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-hydroxyphenyl)methyl]-5-phenylimidazol-4-yl]-5-methylidenepyrrol-2-one is sourced from PubChem (CID 157220285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).