1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea

C26H24Cl2N4O5 — CID 3705309

IUPAC1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea
SMILESCC1(C)C(N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C26H24Cl2N4O5/c1-26(2)23(32(35)24(33)29-19-7-3-5-17(27)12-19)31(20-8-4-6-18(28)13-20)25(34)30(26)14-16-9-10-21-22(11-16)37-15-36-21/h3-13,23,35H,14-15H2,1-2H3,(H,29,33)
InChIKeyVRGMVZWVGLTJND-UHFFFAOYSA-N
MW543.41 g/mol
LogP6.19
Rot. Bonds5

About 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea

1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea (PubChem CID 3705309) has the molecular formula C26H24Cl2N4O5 and a molecular weight of 543.41 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea
PubChem CID3705309
Molecular FormulaC26H24Cl2N4O5
Molecular Weight543.41 g/mol
Exact Mass542.11
IUPAC Name1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea
SMILESCC1(C)C(N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C26H24Cl2N4O5/c1-26(2)23(32(35)24(33)29-19-7-3-5-17(27)12-19)31(20-8-4-6-18(28)13-20)25(34)30(26)14-16-9-10-21-22(11-16)37-15-36-21/h3-13,23,35H,14-15H2,1-2H3,(H,29,33)
InChIKeyVRGMVZWVGLTJND-UHFFFAOYSA-N
XLogP6.19
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.41
LogP ≤ 56.19
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'}

Analyze 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 3720965
3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 98379520
3-(3-chlorophenyl)-1-[(4R)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 40879399
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-5,5-dimethyl-2-oxo-1-(2-phenylethyl)imidazolidin-4-yl]-1-hydroxyurea
CID 3730045
1-[(4R)-1-butyl-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea
CID 26442979
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 3263607
3-(3-chlorophenyl)-1-[3-(3-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-dimethyl-2-oxoimidazolidin-4-yl]-1-hydroxyurea
CID 4976953
1-[5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]-1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4678976
1-hydroxy-1-[(4S)-1-[(4-methoxyphenyl)methyl]-5,5-dimethyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 98377381
1-[(4R)-3-(3-chlorophenyl)-1-hydroxy-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3,4-dichlorophenyl)-1-hydroxyurea
CID 40879539
5-[(4R)-3-(3-chlorophenyl)-4-[(3-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pentanamide
CID 98307424
1-[(4R)-3-(1,3-benzodioxol-5-ylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 40879548

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea (CID 3705309) is 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea is CC1(C)C(N(O)C(=O)Nc2cccc(Cl)c2)N(c2cccc(Cl)c2)C(=O)N1Cc1ccc2c(c1)OCO2.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea?
The InChIKey is VRGMVZWVGLTJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O5/c1-26(2)23(32(35)24(33)29-19-7-3-5-17(27)12-19)31(20-8-4-6-18(28)13-20)25(34)30(26)14-16-9-10-21-22(11-16)37-15-36-21/h3-13,23,35H,14-15H2,1-2H3,(H,29,33).
What are the key properties of 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea?
1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea has a molecular weight of 543.41 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-5,5-dimethyl-2-oxoimidazolidin-4-yl]-3-(3-chlorophenyl)-1-hydroxyurea is sourced from PubChem (CID 3705309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).