1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea

C19H20N2O3 — CID 71804286

IUPAC1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCC(O)c1cc2ccccc2o1
InChIInChI=1S/C19H20N2O3/c1-13-6-2-4-8-15(13)21-19(23)20-11-10-16(22)18-12-14-7-3-5-9-17(14)24-18/h2-9,12,16,22H,10-11H2,1H3,(H2,20,21,23)
InChIKeyHJBILUBRTVUDIK-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.99
Rot. Bonds5

About 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea

1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea (PubChem CID 71804286) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
PubChem CID71804286
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCC(O)c1cc2ccccc2o1
InChIInChI=1S/C19H20N2O3/c1-13-6-2-4-8-15(13)21-19(23)20-11-10-16(22)18-12-14-7-3-5-9-17(14)24-18/h2-9,12,16,22H,10-11H2,1H3,(H2,20,21,23)
InChIKeyHJBILUBRTVUDIK-UHFFFAOYSA-N
XLogP3.99
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804285
(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide
CID 97414269
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 97106401
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(oxan-4-yl)urea
CID 91812855
1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
CID 71150503
1-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-3-(2-methylphenyl)urea
CID 86266800
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-bromofuran-2-carboxamide
CID 97414288
1-(1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017903
N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide
CID 57302607
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide
CID 97414295
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 97414297
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea (CID 71804286) is 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NCCC(O)c1cc2ccccc2o1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea?
The InChIKey is HJBILUBRTVUDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-6-2-4-8-15(13)21-19(23)20-11-10-16(22)18-12-14-7-3-5-9-17(14)24-18/h2-9,12,16,22H,10-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea?
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea has a molecular weight of 324.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 71804286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).