1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea

C24H25N3O2 — CID 119043715

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccc2c(c1)CCO2)NC(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C24H25N3O2/c28-24(26-14-11-18-9-10-23-20(16-18)12-15-29-23)27-22(19-6-2-1-3-7-19)17-21-8-4-5-13-25-21/h1-10,13,16,22H,11-12,14-15,17H2,(H2,26,27,28)
InChIKeyWWLOHFBWZHAUPC-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.84
Rot. Bonds7

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea (PubChem CID 119043715) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea
PubChem CID119043715
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccc2c(c1)CCO2)NC(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C24H25N3O2/c28-24(26-14-11-18-9-10-23-20(16-18)12-15-29-23)27-22(19-6-2-1-3-7-19)17-21-8-4-5-13-25-21/h1-10,13,16,22H,11-12,14-15,17H2,(H2,26,27,28)
InChIKeyWWLOHFBWZHAUPC-UHFFFAOYSA-N
XLogP3.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea (CID 119043715) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea is O=C(NCCc1ccc2c(c1)CCO2)NC(Cc1ccccn1)c1ccccc1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea?
The InChIKey is WWLOHFBWZHAUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(26-14-11-18-9-10-23-20(16-18)12-15-29-23)27-22(19-6-2-1-3-7-19)17-21-8-4-5-13-25-21/h1-10,13,16,22H,11-12,14-15,17H2,(H2,26,27,28).
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea has a molecular weight of 387.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(1-phenyl-2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 119043715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).