1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea

C18H20N2O2 — CID 91631247

IUPAC1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea
SMILESO=C(NCc1ccccc1)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C18H20N2O2/c21-17(19-12-14-6-2-1-3-7-14)20-13-18(22)10-15-8-4-5-9-16(15)11-18/h1-9,22H,10-13H2,(H2,19,20,21)
InChIKeyZPEZDMLSQYPBFO-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.02
Rot. Bonds4

About 1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea

1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea (PubChem CID 91631247) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea
PubChem CID91631247
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea
SMILESO=C(NCc1ccccc1)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C18H20N2O2/c21-17(19-12-14-6-2-1-3-7-14)20-13-18(22)10-15-8-4-5-9-16(15)11-18/h1-9,22H,10-13H2,(H2,19,20,21)
InChIKeyZPEZDMLSQYPBFO-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 56764253
1-Benzyl-3-(2-hydroxy-3-phenylpropyl)urea
CID 56765317
1-cyclohexyl-3-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)urea
CID 71782213
1-(tert-butyl)-3-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)urea
CID 91631367
(R)-1-(3-benzylureido)-2-phenyl-2-propanol
CID 95368108
2-{[N-(S)-1-phenylethylcarbamoylcarbonylamino]methyl}-2-indanol
CID 100733250
1-(4-Fluorobenzyl)-3-(2-hydroxy-2-methyl-4-phenylbutyl)urea
CID 52992714
1-[(4-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47070348
1-[(4-fluorophenyl)methyl]-3-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]urea
CID 52907004
1-[(4-fluorophenyl)methyl]-3-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]urea
CID 52907005
1-(4-fluorobenzyl)-3-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)urea
CID 90499226
N1-(4-fluorobenzyl)-N2-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)oxalamide
CID 91631235

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea (CID 91631247) is 1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea is O=C(NCc1ccccc1)NCC1(O)Cc2ccccc2C1.
What is the InChIKey of 1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea?
The InChIKey is ZPEZDMLSQYPBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(19-12-14-6-2-1-3-7-14)20-13-18(22)10-15-8-4-5-9-16(15)11-18/h1-9,22H,10-13H2,(H2,19,20,21).
What are the key properties of 1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea?
1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea has a molecular weight of 296.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]urea is sourced from PubChem (CID 91631247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).