1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C18H26N4O2 — CID 91980796

IUPAC1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCCN2CCNC2=O)c1
InChIInChI=1S/C18H26N4O2/c1-13(2)14-6-5-7-15(12-14)18(3,4)21-16(23)19-8-10-22-11-9-20-17(22)24/h5-7,12H,1,8-11H2,2-4H3,(H,20,24)(H2,19,21,23)
InChIKeyBISCWEZBJXTFET-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.28
Rot. Bonds6

About 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 91980796) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID91980796
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCCN2CCNC2=O)c1
InChIInChI=1S/C18H26N4O2/c1-13(2)14-6-5-7-15(12-14)18(3,4)21-16(23)19-8-10-22-11-9-20-17(22)24/h5-7,12H,1,8-11H2,2-4H3,(H,20,24)(H2,19,21,23)
InChIKeyBISCWEZBJXTFET-UHFFFAOYSA-N
XLogP2.28
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 91980796) is 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)NCCN2CCNC2=O)c1.
What is the InChIKey of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is BISCWEZBJXTFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(2)14-6-5-7-15(12-14)18(3,4)21-16(23)19-8-10-22-11-9-20-17(22)24/h5-7,12H,1,8-11H2,2-4H3,(H,20,24)(H2,19,21,23).
What are the key properties of 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 330.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 91980796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).