1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea

C23H21N3O2 — CID 24749379

IUPAC1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H21N3O2/c27-20-9-10-22-21(14-20)18(15-25-22)11-12-24-23(28)26-19-8-4-7-17(13-19)16-5-2-1-3-6-16/h1-10,13-15,25,27H,11-12H2,(H2,24,26,28)
InChIKeyQOCJWZDOWRRCEB-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.90
Rot. Bonds5

About 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea

1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea (PubChem CID 24749379) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea.

Molecular Properties

Compound Name1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea
PubChem CID24749379
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H21N3O2/c27-20-9-10-22-21(14-20)18(15-25-22)11-12-24-23(28)26-19-8-4-7-17(13-19)16-5-2-1-3-6-16/h1-10,13-15,25,27H,11-12H2,(H2,24,26,28)
InChIKeyQOCJWZDOWRRCEB-UHFFFAOYSA-N
XLogP4.90
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea?
The IUPAC name of 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea (CID 24749379) is 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea.
What is the SMILES notation for 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea?
The canonical SMILES for 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea is O=C(NCCc1c[nH]c2ccc(O)cc12)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea?
The InChIKey is QOCJWZDOWRRCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-20-9-10-22-21(14-20)18(15-25-22)11-12-24-23(28)26-19-8-4-7-17(13-19)16-5-2-1-3-6-16/h1-10,13-15,25,27H,11-12H2,(H2,24,26,28).
What are the key properties of 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea?
1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea has a molecular weight of 371.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-phenylphenyl)urea is sourced from PubChem (CID 24749379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).