3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea

C20H28N4O4 — CID 52513315

IUPAC3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(Nc1cccc(N2CCNC2=O)c1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1
InChIInChI=1S/C20H28N4O4/c25-19-21-8-9-24(19)16-5-1-4-15(12-16)22-20(26)23(13-17-6-2-10-27-17)14-18-7-3-11-28-18/h1,4-5,12,17-18H,2-3,6-11,13-14H2,(H,21,25)(H,22,26)/t17-,18-/m0/s1
InChIKeyOQKDEVIILCTZRJ-ROUUACIJSA-N
MW388.47 g/mol
LogP2.41
Rot. Bonds6

About 3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea

3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 52513315) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID52513315
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(Nc1cccc(N2CCNC2=O)c1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1
InChIInChI=1S/C20H28N4O4/c25-19-21-8-9-24(19)16-5-1-4-15(12-16)22-20(26)23(13-17-6-2-10-27-17)14-18-7-3-11-28-18/h1,4-5,12,17-18H,2-3,6-11,13-14H2,(H,21,25)(H,22,26)/t17-,18-/m0/s1
InChIKeyOQKDEVIILCTZRJ-ROUUACIJSA-N
XLogP2.41
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide
CID 47051038
(2S,5R)-5-(aminomethyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide
CID 120787794
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
(2S,5R)-5-(aminomethyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120787793
1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea
CID 86861225
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
2-cyclopentyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 71938993
N-[3-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119727665
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672792
3-(3-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 52507120
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea (CID 52513315) is 3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea is O=C(Nc1cccc(N2CCNC2=O)c1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1.
What is the InChIKey of 3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is OQKDEVIILCTZRJ-ROUUACIJSA-N. The full InChI is InChI=1S/C20H28N4O4/c25-19-21-8-9-24(19)16-5-1-4-15(12-16)22-20(26)23(13-17-6-2-10-27-17)14-18-7-3-11-28-18/h1,4-5,12,17-18H,2-3,6-11,13-14H2,(H,21,25)(H,22,26)/t17-,18-/m0/s1.
What are the key properties of 3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea?
3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 388.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 52513315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).