1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea

C22H29N5O2 — CID 166259470

IUPAC1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea
SMILESCC(NC(=O)N(CCN)CCc1ccccc1)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C22H29N5O2/c1-17(19-8-5-9-20(16-19)27-15-12-24-21(27)28)25-22(29)26(14-11-23)13-10-18-6-3-2-4-7-18/h2-9,16-17H,10-15,23H2,1H3,(H,24,28)(H,25,29)
InChIKeyRFILMRXWCRWSPF-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.49
Rot. Bonds8

About 1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea

1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea (PubChem CID 166259470) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea
PubChem CID166259470
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea
SMILESCC(NC(=O)N(CCN)CCc1ccccc1)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C22H29N5O2/c1-17(19-8-5-9-20(16-19)27-15-12-24-21(27)28)25-22(29)26(14-11-23)13-10-18-6-3-2-4-7-18/h2-9,16-17H,10-15,23H2,1H3,(H,24,28)(H,25,29)
InChIKeyRFILMRXWCRWSPF-UHFFFAOYSA-N
XLogP2.49
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1-(3-phenylpropyl)urea
CID 86861225
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55790801
N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 138997006
N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885187
1-[3-(4-aminobutan-2-yl)phenyl]piperazine-2,3-dione
CID 117407640
N-(2-aminoethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886483
N-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 25369030
1-(2-aminoethyl)-1-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 69411081
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 120884652
2-methyl-3-[methyl-[1-(3-pyrrolidin-1-ylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122005980
N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299247
[(1R)-2-amino-2-oxo-1-phenylethyl] 3-(2-oxoimidazolidin-1-yl)benzoate
CID 94103638

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea?
The IUPAC name of 1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea (CID 166259470) is 1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea is CC(NC(=O)N(CCN)CCc1ccccc1)c1cccc(N2CCNC2=O)c1.
What is the InChIKey of 1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea?
The InChIKey is RFILMRXWCRWSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-17(19-8-5-9-20(16-19)27-15-12-24-21(27)28)25-22(29)26(14-11-23)13-10-18-6-3-2-4-7-18/h2-9,16-17H,10-15,23H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea?
1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea has a molecular weight of 395.51 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-[1-[3-(2-oxoimidazolidin-1-yl)phenyl]ethyl]-1-(2-phenylethyl)urea is sourced from PubChem (CID 166259470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).