1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea

C20H18N2O3 — CID 71882103

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea
SMILESO=C(NCc1ccc(-c2ccccc2)o1)NC1COc2ccccc21
InChIInChI=1S/C20H18N2O3/c23-20(22-17-13-24-19-9-5-4-8-16(17)19)21-12-15-10-11-18(25-15)14-6-2-1-3-7-14/h1-11,17H,12-13H2,(H2,21,22,23)
InChIKeyIXZUIRBECKVHQU-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.88
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea

1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea (PubChem CID 71882103) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea
PubChem CID71882103
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea
SMILESO=C(NCc1ccc(-c2ccccc2)o1)NC1COc2ccccc21
InChIInChI=1S/C20H18N2O3/c23-20(22-17-13-24-19-9-5-4-8-16(17)19)21-12-15-10-11-18(25-15)14-6-2-1-3-7-14/h1-11,17H,12-13H2,(H2,21,22,23)
InChIKeyIXZUIRBECKVHQU-UHFFFAOYSA-N
XLogP3.88
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71990377
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea
CID 97016982
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]urea
CID 99635705
3-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 64892065
2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65226384
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 94814028
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)-3-methylbutanoic acid
CID 79010010
3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea
CID 115604588
N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378721
4-[(5-phenylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509758

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea (CID 71882103) is 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea is O=C(NCc1ccc(-c2ccccc2)o1)NC1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea?
The InChIKey is IXZUIRBECKVHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-20(22-17-13-24-19-9-5-4-8-16(17)19)21-12-15-10-11-18(25-15)14-6-2-1-3-7-14/h1-11,17H,12-13H2,(H2,21,22,23).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea?
1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea has a molecular weight of 334.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea is sourced from PubChem (CID 71882103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).