1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea

C18H20N2O2 — CID 52769010

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1CO)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H20N2O2/c21-12-16-5-2-1-4-15(16)11-19-18(22)20-17-9-8-13-6-3-7-14(13)10-17/h1-2,4-5,8-10,21H,3,6-7,11-12H2,(H2,19,20,22)
InChIKeyCVPDSFQJSQIORH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.99
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea

1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 52769010) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
PubChem CID52769010
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1CO)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H20N2O2/c21-12-16-5-2-1-4-15(16)11-19-18(22)20-17-9-8-13-6-3-7-14(13)10-17/h1-2,4-5,8-10,21H,3,6-7,11-12H2,(H2,19,20,22)
InChIKeyCVPDSFQJSQIORH-UHFFFAOYSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.99
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-[[2-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea (CID 52769010) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea is O=C(NCc1ccccc1CO)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is CVPDSFQJSQIORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-12-16-5-2-1-4-15(16)11-19-18(22)20-17-9-8-13-6-3-7-14(13)10-17/h1-2,4-5,8-10,21H,3,6-7,11-12H2,(H2,19,20,22).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 296.37 g/mol, XLogP of 2.99, 4 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-[[2-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 52769010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).