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

C23H24ClN3O3 — CID 10180805

IUPACN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1nc(-c2ccccc2Cl)n(NC(=O)c2ccc3c(c2C)OCCO3)c1C(C)C
InChIInChI=1S/C23H24ClN3O3/c1-13(2)20-15(4)25-22(17-7-5-6-8-18(17)24)27(20)26-23(28)16-9-10-19-21(14(16)3)30-12-11-29-19/h5-10,13H,11-12H2,1-4H3,(H,26,28)
InChIKeyXLNQTHXOKGRTAL-UHFFFAOYSA-N
MW425.92 g/mol
LogP5.10
Rot. Bonds4

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

N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 10180805) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID10180805
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC NameN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1nc(-c2ccccc2Cl)n(NC(=O)c2ccc3c(c2C)OCCO3)c1C(C)C
InChIInChI=1S/C23H24ClN3O3/c1-13(2)20-15(4)25-22(17-7-5-6-8-18(17)24)27(20)26-23(28)16-9-10-19-21(14(16)3)30-12-11-29-19/h5-10,13H,11-12H2,1-4H3,(H,26,28)
InChIKeyXLNQTHXOKGRTAL-UHFFFAOYSA-N
XLogP5.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.92
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[4,5-dimethyl-2-(2-methylphenyl)imidazol-1-yl]-3-methoxy-2-methylbenzamide
CID 9968230
N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide
CID 10158319
N-[4-(2-chlorophenyl)-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]-3-methoxy-2-methylbenzamide
CID 10158336
N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide
CID 10163353
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-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 10181717
N-[2-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 10202415
N-[2-(2,4-dichlorophenyl)-4,5-dimethylimidazol-1-yl]-4-methoxybenzamide
CID 10221962
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-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-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 10180805) is N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-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-methyl-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-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1nc(-c2ccccc2Cl)n(NC(=O)c2ccc3c(c2C)OCCO3)c1C(C)C.
What is the InChIKey of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is XLNQTHXOKGRTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-13(2)20-15(4)25-22(17-7-5-6-8-18(17)24)27(20)26-23(28)16-9-10-19-21(14(16)3)30-12-11-29-19/h5-10,13H,11-12H2,1-4H3,(H,26,28).
What are the key properties of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 5.10, 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-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 10180805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).