1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea

C17H18N2O — CID 24819566

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H18N2O/c1-12-5-8-15(9-6-12)18-17(20)19-16-10-7-13-3-2-4-14(13)11-16/h5-11H,2-4H2,1H3,(H2,18,19,20)
InChIKeySYLZGTKRCITQHO-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.13
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea

1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea (PubChem CID 24819566) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea
PubChem CID24819566
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H18N2O/c1-12-5-8-15(9-6-12)18-17(20)19-16-10-7-13-3-2-4-14(13)11-16/h5-11H,2-4H2,1H3,(H2,18,19,20)
InChIKeySYLZGTKRCITQHO-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.13
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-(4-methylphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea (CID 24819566) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea?
The InChIKey is SYLZGTKRCITQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-5-8-15(9-6-12)18-17(20)19-16-10-7-13-3-2-4-14(13)11-16/h5-11H,2-4H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)urea has a molecular weight of 266.34 g/mol, XLogP of 4.13, 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-(4-methylphenyl)urea is sourced from PubChem (CID 24819566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).