(3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea

C12H20N8O4 — CID 88552348

IUPAC(3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea
SMILESO=C(/N=N\C(=O)NCCN1CCNC1=O)NCCN1CCNC1=O
InChIInChI=1S/C12H20N8O4/c21-9(13-1-5-19-7-3-15-11(19)23)17-18-10(22)14-2-6-20-8-4-16-12(20)24/h1-8H2,(H,13,21)(H,14,22)(H,15,23)(H,16,24)/b18-17-
InChIKeyWWUZDNOJYHKBEU-ZCXUNETKSA-N
MW340.34 g/mol
LogP-1.09
Rot. Bonds6

About (3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea

(3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea (PubChem CID 88552348) has the molecular formula C12H20N8O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is (3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea.

Molecular Properties

Compound Name(3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea
PubChem CID88552348
Molecular FormulaC12H20N8O4
Molecular Weight340.34 g/mol
Exact Mass340.16
IUPAC Name(3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea
SMILESO=C(/N=N\C(=O)NCCN1CCNC1=O)NCCN1CCNC1=O
InChIInChI=1S/C12H20N8O4/c21-9(13-1-5-19-7-3-15-11(19)23)17-18-10(22)14-2-6-20-8-4-16-12(20)24/h1-8H2,(H,13,21)(H,14,22)(H,15,23)(H,16,24)/b18-17-
InChIKeyWWUZDNOJYHKBEU-ZCXUNETKSA-N
XLogP-1.09
TPSA147.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea?
The IUPAC name of (3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea (CID 88552348) is (3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea.
What is the SMILES notation for (3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea?
The canonical SMILES for (3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea is O=C(/N=N\C(=O)NCCN1CCNC1=O)NCCN1CCNC1=O.
What is the InChIKey of (3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea?
The InChIKey is WWUZDNOJYHKBEU-ZCXUNETKSA-N. The full InChI is InChI=1S/C12H20N8O4/c21-9(13-1-5-19-7-3-15-11(19)23)17-18-10(22)14-2-6-20-8-4-16-12(20)24/h1-8H2,(H,13,21)(H,14,22)(H,15,23)(H,16,24)/b18-17-.
What are the key properties of (3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea?
(3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea has a molecular weight of 340.34 g/mol, XLogP of -1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea is sourced from PubChem (CID 88552348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).