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

C17H18N2O2 — CID 4827268

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H18N2O2/c1-21-16-8-3-2-7-15(16)19-17(20)18-14-10-9-12-5-4-6-13(12)11-14/h2-3,7-11H,4-6H2,1H3,(H2,18,19,20)
InChIKeyRHXVTLXKODZWSA-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.83
Rot. Bonds3

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

1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea (PubChem CID 4827268) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea
PubChem CID4827268
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H18N2O2/c1-21-16-8-3-2-7-15(16)19-17(20)18-14-10-9-12-5-4-6-13(12)11-14/h2-3,7-11H,4-6H2,1H3,(H2,18,19,20)
InChIKeyRHXVTLXKODZWSA-UHFFFAOYSA-N
XLogP3.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
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-(2-methoxyphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea (CID 4827268) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is RHXVTLXKODZWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-8-3-2-7-15(16)19-17(20)18-14-10-9-12-5-4-6-13(12)11-14/h2-3,7-11H,4-6H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 282.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 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-(2-methoxyphenyl)urea is sourced from PubChem (CID 4827268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).