1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea

C16H20N2O2 — CID 128905769

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea
SMILESO=C(NCc1ccc2c(c1)COC2)NC1CC2CC2C1
InChIInChI=1S/C16H20N2O2/c19-16(18-15-5-12-4-13(12)6-15)17-7-10-1-2-11-8-20-9-14(11)3-10/h1-3,12-13,15H,4-9H2,(H2,17,18,19)
InChIKeyINXQWPLWGFSOCB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.31
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea

1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea (PubChem CID 128905769) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea
PubChem CID128905769
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea
SMILESO=C(NCc1ccc2c(c1)COC2)NC1CC2CC2C1
InChIInChI=1S/C16H20N2O2/c19-16(18-15-5-12-4-13(12)6-15)17-7-10-1-2-11-8-20-9-14(11)3-10/h1-3,12-13,15H,4-9H2,(H2,17,18,19)
InChIKeyINXQWPLWGFSOCB-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-ylmethyl)-3-(4-piperazin-1-ylcyclohexyl)urea
CID 166237773
1-(1,3-benzodioxol-5-ylmethyl)-3-(oxolan-3-yl)urea
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1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904230
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 107231658
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[4-(propylamino)phenyl]methyl]urea
CID 99836325
1-(oxepan-4-yl)-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]urea
CID 146087666
1-[(4-cyclopropylphenyl)methyl]-3-[(2S,6S)-2,6-dimethyloxan-4-yl]urea
CID 99828934
1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775425
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CID 86793796
4-[[(3-tert-butylcyclobutyl)carbamoylamino]methyl]benzoic acid
CID 122015420
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17249590
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 100856062

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea (CID 128905769) is 1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea is O=C(NCc1ccc2c(c1)COC2)NC1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea?
The InChIKey is INXQWPLWGFSOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(18-15-5-12-4-13(12)6-15)17-7-10-1-2-11-8-20-9-14(11)3-10/h1-3,12-13,15H,4-9H2,(H2,17,18,19).
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea?
1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea has a molecular weight of 272.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-3-(1,3-dihydro-2-benzofuran-5-ylmethyl)urea is sourced from PubChem (CID 128905769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).