1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea

C27H30N4O5 — CID 40877409

IUPAC1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
SMILESCOc1cccc(CN2C(=O)N(c3ccccc3)[C@H](N(O)C(=O)Nc3ccccc3)C2(C)C)c1OC
InChIInChI=1S/C27H30N4O5/c1-27(2)24(31(34)25(32)28-20-13-7-5-8-14-20)30(21-15-9-6-10-16-21)26(33)29(27)18-19-12-11-17-22(35-3)23(19)36-4/h5-17,24,34H,18H2,1-4H3,(H,28,32)/t24-/m1/s1
InChIKeyXYPMLINVDKHTKU-XMMPIXPASA-N
MW490.56 g/mol
LogP5.17
Rot. Bonds7

About 1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea

1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea (PubChem CID 40877409) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea.

Molecular Properties

Compound Name1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
PubChem CID40877409
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
SMILESCOc1cccc(CN2C(=O)N(c3ccccc3)[C@H](N(O)C(=O)Nc3ccccc3)C2(C)C)c1OC
InChIInChI=1S/C27H30N4O5/c1-27(2)24(31(34)25(32)28-20-13-7-5-8-14-20)30(21-15-9-6-10-16-21)26(33)29(27)18-19-12-11-17-22(35-3)23(19)36-4/h5-17,24,34H,18H2,1-4H3,(H,28,32)/t24-/m1/s1
InChIKeyXYPMLINVDKHTKU-XMMPIXPASA-N
XLogP5.17
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 40877286
methyl 2-[[2-[4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]acetyl]amino]acetate
CID 3316950
1-[(4S)-1-(2-hydrazinyl-2-oxoethyl)-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 7340170
3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 98379520
(2S)-2-[(4S)-4-[hydroxy(phenylcarbamoyl)amino]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-1-yl]propanoate
CID 7308462
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 3263607
1-[5,5-dimethyl-3-(4-methylphenyl)-2-oxo-1-prop-2-enylimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3797999
1-[5,5-dimethyl-3-(4-methylphenyl)-1-octyl-2-oxoimidazolidin-4-yl]-1-hydroxy-3-(4-methylphenyl)urea
CID 3265467
3-(3-chlorophenyl)-1-hydroxy-1-[3-[(2-methoxyphenyl)methyl]-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]urea
CID 3780793
3-(3-chlorophenyl)-1-hydroxy-1-[(4R)-3-[(2-methoxyphenyl)methyl]-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]urea
CID 40879562
4,5-dimethoxy-3-oxo-N,2-diphenyl-1H-isoindole-1-carboxamide
CID 3743192
1-[1-[(2,3-dimethoxyphenyl)methyl]pyridin-1-ium-3-yl]-3-phenylurea
CID 100963881

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea?
The IUPAC name of 1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea (CID 40877409) is 1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea.
What is the SMILES notation for 1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea?
The canonical SMILES for 1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea is COc1cccc(CN2C(=O)N(c3ccccc3)[C@H](N(O)C(=O)Nc3ccccc3)C2(C)C)c1OC.
What is the InChIKey of 1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea?
The InChIKey is XYPMLINVDKHTKU-XMMPIXPASA-N. The full InChI is InChI=1S/C27H30N4O5/c1-27(2)24(31(34)25(32)28-20-13-7-5-8-14-20)30(21-15-9-6-10-16-21)26(33)29(27)18-19-12-11-17-22(35-3)23(19)36-4/h5-17,24,34H,18H2,1-4H3,(H,28,32)/t24-/m1/s1.
What are the key properties of 1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea?
1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea has a molecular weight of 490.56 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-1-[(2,3-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea is sourced from PubChem (CID 40877409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).