1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea

C19H20N4O2 — CID 66893590

IUPAC1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea
SMILESO=C(Nc1ccccc1)Nc1cc(N2CCNCC2)c2occc2c1
InChIInChI=1S/C19H20N4O2/c24-19(21-15-4-2-1-3-5-15)22-16-12-14-6-11-25-18(14)17(13-16)23-9-7-20-8-10-23/h1-6,11-13,20H,7-10H2,(H2,21,22,24)
InChIKeyUUDONEFCFWYZPR-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.49
Rot. Bonds3

About 1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea

1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea (PubChem CID 66893590) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea
PubChem CID66893590
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea
SMILESO=C(Nc1ccccc1)Nc1cc(N2CCNCC2)c2occc2c1
InChIInChI=1S/C19H20N4O2/c24-19(21-15-4-2-1-3-5-15)22-16-12-14-6-11-25-18(14)17(13-16)23-9-7-20-8-10-23/h1-6,11-13,20H,7-10H2,(H2,21,22,24)
InChIKeyUUDONEFCFWYZPR-UHFFFAOYSA-N
XLogP3.49
TPSA69.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea?
The IUPAC name of 1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea (CID 66893590) is 1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea.
What is the SMILES notation for 1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea?
The canonical SMILES for 1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea is O=C(Nc1ccccc1)Nc1cc(N2CCNCC2)c2occc2c1.
What is the InChIKey of 1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea?
The InChIKey is UUDONEFCFWYZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(21-15-4-2-1-3-5-15)22-16-12-14-6-11-25-18(14)17(13-16)23-9-7-20-8-10-23/h1-6,11-13,20H,7-10H2,(H2,21,22,24).
What are the key properties of 1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea?
1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea has a molecular weight of 336.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(7-piperazin-1-yl-1-benzofuran-5-yl)urea is sourced from PubChem (CID 66893590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).