1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea

C18H24N6O2 — CID 72870620

IUPAC1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
SMILESCC(C)c1cc(NC(=O)NCCN2CCNC2=O)n(-c2ccccc2)n1
InChIInChI=1S/C18H24N6O2/c1-13(2)15-12-16(24(22-15)14-6-4-3-5-7-14)21-17(25)19-8-10-23-11-9-20-18(23)26/h3-7,12-13H,8-11H2,1-2H3,(H,20,26)(H2,19,21,25)
InChIKeyGYCUJFBNXQWMKI-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.14
Rot. Bonds6

About 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea

1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea (PubChem CID 72870620) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
PubChem CID72870620
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
SMILESCC(C)c1cc(NC(=O)NCCN2CCNC2=O)n(-c2ccccc2)n1
InChIInChI=1S/C18H24N6O2/c1-13(2)15-12-16(24(22-15)14-6-4-3-5-7-14)21-17(25)19-8-10-23-11-9-20-18(23)26/h3-7,12-13H,8-11H2,1-2H3,(H,20,26)(H2,19,21,25)
InChIKeyGYCUJFBNXQWMKI-UHFFFAOYSA-N
XLogP2.14
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
The IUPAC name of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea (CID 72870620) is 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea.
What is the SMILES notation for 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
The canonical SMILES for 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea is CC(C)c1cc(NC(=O)NCCN2CCNC2=O)n(-c2ccccc2)n1.
What is the InChIKey of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
The InChIKey is GYCUJFBNXQWMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13(2)15-12-16(24(22-15)14-6-4-3-5-7-14)21-17(25)19-8-10-23-11-9-20-18(23)26/h3-7,12-13H,8-11H2,1-2H3,(H,20,26)(H2,19,21,25).
What are the key properties of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea has a molecular weight of 356.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea is sourced from PubChem (CID 72870620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).