5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one

C20H19N3O — CID 23177831

IUPAC5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one
SMILESCC(C)C1C(=O)Nc2ccc(-c3cnc(-c4ccccc4)[nH]3)cc21
InChIInChI=1S/C20H19N3O/c1-12(2)18-15-10-14(8-9-16(15)23-20(18)24)17-11-21-19(22-17)13-6-4-3-5-7-13/h3-12,18H,1-2H3,(H,21,22)(H,23,24)
InChIKeyYSTCZJMQEBRGKD-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.44
Rot. Bonds3

About 5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one

5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one (PubChem CID 23177831) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one
PubChem CID23177831
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one
SMILESCC(C)C1C(=O)Nc2ccc(-c3cnc(-c4ccccc4)[nH]3)cc21
InChIInChI=1S/C20H19N3O/c1-12(2)18-15-10-14(8-9-16(15)23-20(18)24)17-11-21-19(22-17)13-6-4-3-5-7-13/h3-12,18H,1-2H3,(H,21,22)(H,23,24)
InChIKeyYSTCZJMQEBRGKD-UHFFFAOYSA-N
XLogP4.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one (CID 23177831) is 5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one is CC(C)C1C(=O)Nc2ccc(-c3cnc(-c4ccccc4)[nH]3)cc21.
What is the InChIKey of 5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one?
The InChIKey is YSTCZJMQEBRGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-12(2)18-15-10-14(8-9-16(15)23-20(18)24)17-11-21-19(22-17)13-6-4-3-5-7-13/h3-12,18H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one?
5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one has a molecular weight of 317.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenyl-1H-imidazol-5-yl)-3-propan-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 23177831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).