5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one

C20H19N3O2 — CID 22953145

IUPAC5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one
SMILESCOc1ccc(-c2cnc(-c3ccc4c(c3)C(C)(C)C(=O)N4)[nH]2)cc1
InChIInChI=1S/C20H19N3O2/c1-20(2)15-10-13(6-9-16(15)23-19(20)24)18-21-11-17(22-18)12-4-7-14(25-3)8-5-12/h4-11H,1-3H3,(H,21,22)(H,23,24)
InChIKeyUYBYPWRGVJBIPL-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.98
Rot. Bonds3

About 5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one

5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 22953145) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one
PubChem CID22953145
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one
SMILESCOc1ccc(-c2cnc(-c3ccc4c(c3)C(C)(C)C(=O)N4)[nH]2)cc1
InChIInChI=1S/C20H19N3O2/c1-20(2)15-10-13(6-9-16(15)23-19(20)24)18-21-11-17(22-18)12-4-7-14(25-3)8-5-12/h4-11H,1-3H3,(H,21,22)(H,23,24)
InChIKeyUYBYPWRGVJBIPL-UHFFFAOYSA-N
XLogP3.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one (CID 22953145) is 5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one is COc1ccc(-c2cnc(-c3ccc4c(c3)C(C)(C)C(=O)N4)[nH]2)cc1.
What is the InChIKey of 5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is UYBYPWRGVJBIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-20(2)15-10-13(6-9-16(15)23-19(20)24)18-21-11-17(22-18)12-4-7-14(25-3)8-5-12/h4-11H,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one?
5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 22953145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).