1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea

C16H16N2O — CID 4530884

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16N2O/c19-16(17-14-7-2-1-3-8-14)18-15-10-9-12-5-4-6-13(12)11-15/h1-3,7-11H,4-6H2,(H2,17,18,19)
InChIKeyFQDYPIVYGMFAGN-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.82
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea

1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea (PubChem CID 4530884) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea
PubChem CID4530884
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16N2O/c19-16(17-14-7-2-1-3-8-14)18-15-10-9-12-5-4-6-13(12)11-15/h1-3,7-11H,4-6H2,(H2,17,18,19)
InChIKeyFQDYPIVYGMFAGN-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea (CID 4530884) is 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea?
The InChIKey is FQDYPIVYGMFAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16(17-14-7-2-1-3-8-14)18-15-10-9-12-5-4-6-13(12)11-15/h1-3,7-11H,4-6H2,(H2,17,18,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea?
1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea has a molecular weight of 252.32 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-phenylurea is sourced from PubChem (CID 4530884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).