N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C24H26ClN3O3 — CID 10181717

IUPACN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc(C(=O)Nn2c(-c3ccccc3Cl)nc(C)c2C(C)C)c(C)c2c1OCCO2
InChIInChI=1S/C24H26ClN3O3/c1-13(2)20-16(5)26-23(17-8-6-7-9-19(17)25)28(20)27-24(29)18-12-14(3)21-22(15(18)4)31-11-10-30-21/h6-9,12-13H,10-11H2,1-5H3,(H,27,29)
InChIKeyYRIKXSMZIZDPMP-UHFFFAOYSA-N
MW439.94 g/mol
LogP5.41
Rot. Bonds4

About N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 10181717) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID10181717
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC NameN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc(C(=O)Nn2c(-c3ccccc3Cl)nc(C)c2C(C)C)c(C)c2c1OCCO2
InChIInChI=1S/C24H26ClN3O3/c1-13(2)20-16(5)26-23(17-8-6-7-9-19(17)25)28(20)27-24(29)18-12-14(3)21-22(15(18)4)31-11-10-30-21/h6-9,12-13H,10-11H2,1-5H3,(H,27,29)
InChIKeyYRIKXSMZIZDPMP-UHFFFAOYSA-N
XLogP5.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide 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

N-[2-(2-Chlorophenyl)-4-Methyl-5-(1-Methylethyl)-1h-Imidazol-1-Yl]-5-Methyl-2,3-Dihydro-1,4-Benzodioxine-6-Carboxamide
CID 10180805
5-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 10273444
N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 10293604
N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide
CID 10158319
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 10180673
N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 10199494
N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 10202415
N-[2-(2,5-dichlorophenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 10223621
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 10225098
N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 10273887
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide
CID 10274025
N-[2-(3,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 10292975

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 10181717) is N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1cc(C(=O)Nn2c(-c3ccccc3Cl)nc(C)c2C(C)C)c(C)c2c1OCCO2.
What is the InChIKey of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is YRIKXSMZIZDPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-13(2)20-16(5)26-23(17-8-6-7-9-19(17)25)28(20)27-24(29)18-12-14(3)21-22(15(18)4)31-11-10-30-21/h6-9,12-13H,10-11H2,1-5H3,(H,27,29).
What are the key properties of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 439.94 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 10181717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).