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

C13H16N4O2 — CID 140512107

IUPAC(7-piperazin-1-yl-1-benzofuran-5-yl)urea
SMILESNC(=O)Nc1cc(N2CCNCC2)c2occc2c1
InChIInChI=1S/C13H16N4O2/c14-13(18)16-10-7-9-1-6-19-12(9)11(8-10)17-4-2-15-3-5-17/h1,6-8,15H,2-5H2,(H3,14,16,18)
InChIKeyNUSQWPXSDBXPCE-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.33
Rot. Bonds2

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

(7-piperazin-1-yl-1-benzofuran-5-yl)urea (PubChem CID 140512107) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (7-piperazin-1-yl-1-benzofuran-5-yl)urea.

Molecular Properties

Compound Name(7-piperazin-1-yl-1-benzofuran-5-yl)urea
PubChem CID140512107
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(7-piperazin-1-yl-1-benzofuran-5-yl)urea
SMILESNC(=O)Nc1cc(N2CCNCC2)c2occc2c1
InChIInChI=1S/C13H16N4O2/c14-13(18)16-10-7-9-1-6-19-12(9)11(8-10)17-4-2-15-3-5-17/h1,6-8,15H,2-5H2,(H3,14,16,18)
InChIKeyNUSQWPXSDBXPCE-UHFFFAOYSA-N
XLogP1.33
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-piperazin-1-yl-1-benzofuran-5-yl)urea?
The IUPAC name of (7-piperazin-1-yl-1-benzofuran-5-yl)urea (CID 140512107) is (7-piperazin-1-yl-1-benzofuran-5-yl)urea.
What is the SMILES notation for (7-piperazin-1-yl-1-benzofuran-5-yl)urea?
The canonical SMILES for (7-piperazin-1-yl-1-benzofuran-5-yl)urea is NC(=O)Nc1cc(N2CCNCC2)c2occc2c1.
What is the InChIKey of (7-piperazin-1-yl-1-benzofuran-5-yl)urea?
The InChIKey is NUSQWPXSDBXPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-13(18)16-10-7-9-1-6-19-12(9)11(8-10)17-4-2-15-3-5-17/h1,6-8,15H,2-5H2,(H3,14,16,18).
What are the key properties of (7-piperazin-1-yl-1-benzofuran-5-yl)urea?
(7-piperazin-1-yl-1-benzofuran-5-yl)urea has a molecular weight of 260.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-piperazin-1-yl-1-benzofuran-5-yl)urea is sourced from PubChem (CID 140512107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).