1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea

C24H21N3O2 — CID 5329897

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2cccc3c2CNC3=O)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C24H21N3O2/c28-23-21-6-2-5-20(22(21)14-25-23)16-8-10-18(11-9-16)26-24(29)27-19-12-7-15-3-1-4-17(15)13-19/h2,5-13H,1,3-4,14H2,(H,25,28)(H2,26,27,29)
InChIKeyOSFWZQSZUPUCDJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.73
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea

1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea (PubChem CID 5329897) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
PubChem CID5329897
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2cccc3c2CNC3=O)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C24H21N3O2/c28-23-21-6-2-5-20(22(21)14-25-23)16-8-10-18(11-9-16)26-24(29)27-19-12-7-15-3-1-4-17(15)13-19/h2,5-13H,1,3-4,14H2,(H,25,28)(H2,26,27,29)
InChIKeyOSFWZQSZUPUCDJ-UHFFFAOYSA-N
XLogP4.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea (CID 5329897) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea is O=C(Nc1ccc(-c2cccc3c2CNC3=O)cc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
The InChIKey is OSFWZQSZUPUCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-23-21-6-2-5-20(22(21)14-25-23)16-8-10-18(11-9-16)26-24(29)27-19-12-7-15-3-1-4-17(15)13-19/h2,5-13H,1,3-4,14H2,(H,25,28)(H2,26,27,29).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea has a molecular weight of 383.45 g/mol, XLogP of 4.73, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea is sourced from PubChem (CID 5329897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).