3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea

C23H28N4O4 — CID 3949694

IUPAC3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea
SMILESCOCCN(CC(=O)N1CC(=O)N(c2cccc(C)c2)C1)C(=O)NCc1ccccc1
InChIInChI=1S/C23H28N4O4/c1-18-7-6-10-20(13-18)27-17-26(16-22(27)29)21(28)15-25(11-12-31-2)23(30)24-14-19-8-4-3-5-9-19/h3-10,13H,11-12,14-17H2,1-2H3,(H,24,30)
InChIKeyIKBHWJOBKHACQR-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.99
Rot. Bonds8

About 3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea

3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea (PubChem CID 3949694) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea
PubChem CID3949694
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea
SMILESCOCCN(CC(=O)N1CC(=O)N(c2cccc(C)c2)C1)C(=O)NCc1ccccc1
InChIInChI=1S/C23H28N4O4/c1-18-7-6-10-20(13-18)27-17-26(16-22(27)29)21(28)15-25(11-12-31-2)23(30)24-14-19-8-4-3-5-9-19/h3-10,13H,11-12,14-17H2,1-2H3,(H,24,30)
InChIKeyIKBHWJOBKHACQR-UHFFFAOYSA-N
XLogP1.99
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide
CID 4222132
2-chloro-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3324074
N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4258893
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3-cyclopentyl-N-(2-methoxyethyl)propanamide
CID 3496333
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 3460978
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-(2-methoxyethyl)hexanamide
CID 4183545
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3290612
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylbutanamide
CID 4126436
N-[2-[3-(2,3-dimethylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3-hydroxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 70861165
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3376374
3-chloro-N-[2-[3-[(4-chlorophenyl)methyl]-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 59434037

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of 3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea (CID 3949694) is 3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for 3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for 3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea is COCCN(CC(=O)N1CC(=O)N(c2cccc(C)c2)C1)C(=O)NCc1ccccc1.
What is the InChIKey of 3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea?
The InChIKey is IKBHWJOBKHACQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-18-7-6-10-20(13-18)27-17-26(16-22(27)29)21(28)15-25(11-12-31-2)23(30)24-14-19-8-4-3-5-9-19/h3-10,13H,11-12,14-17H2,1-2H3,(H,24,30).
What are the key properties of 3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea?
3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea has a molecular weight of 424.50 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 3949694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).