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

C22H19N3O2 — CID 158216611

IUPAC3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one
SMILESC=C1C=C(c2c(Cc3ccccc3)ncn2Cc2cccc(O)c2)C(=O)N1
InChIInChI=1S/C22H19N3O2/c1-15-10-19(22(27)24-15)21-20(12-16-6-3-2-4-7-16)23-14-25(21)13-17-8-5-9-18(26)11-17/h2-11,14,26H,1,12-13H2,(H,24,27)
InChIKeyQXKHZYMIGVBBKH-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.25
Rot. Bonds5

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

3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one (PubChem CID 158216611) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one
PubChem CID158216611
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one
SMILESC=C1C=C(c2c(Cc3ccccc3)ncn2Cc2cccc(O)c2)C(=O)N1
InChIInChI=1S/C22H19N3O2/c1-15-10-19(22(27)24-15)21-20(12-16-6-3-2-4-7-16)23-14-25(21)13-17-8-5-9-18(26)11-17/h2-11,14,26H,1,12-13H2,(H,24,27)
InChIKeyQXKHZYMIGVBBKH-UHFFFAOYSA-N
XLogP3.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one?
The IUPAC name of 3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one (CID 158216611) is 3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one.
What is the SMILES notation for 3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one?
The canonical SMILES for 3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one is C=C1C=C(c2c(Cc3ccccc3)ncn2Cc2cccc(O)c2)C(=O)N1.
What is the InChIKey of 3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one?
The InChIKey is QXKHZYMIGVBBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-10-19(22(27)24-15)21-20(12-16-6-3-2-4-7-16)23-14-25(21)13-17-8-5-9-18(26)11-17/h2-11,14,26H,1,12-13H2,(H,24,27).
What are the key properties of 3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one?
3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one has a molecular weight of 357.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-benzyl-3-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-5-methylidenepyrrol-2-one is sourced from PubChem (CID 158216611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).