N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide

C22H24IN3O2 — CID 10163353

IUPACN-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)Nn2c(-c3ccccc3I)nc(C)c2C(C)C)c1C
InChIInChI=1S/C22H24IN3O2/c1-13(2)20-15(4)24-21(17-9-6-7-11-18(17)23)26(20)25-22(27)16-10-8-12-19(28-5)14(16)3/h6-13H,1-5H3,(H,25,27)
InChIKeyCIXBKMWNMPDAOO-UHFFFAOYSA-N
MW489.36 g/mol
LogP5.29
Rot. Bonds5

About N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide

N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide (PubChem CID 10163353) has the molecular formula C22H24IN3O2 and a molecular weight of 489.36 g/mol. Its IUPAC name is N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide
PubChem CID10163353
Molecular FormulaC22H24IN3O2
Molecular Weight489.36 g/mol
Exact Mass489.09
IUPAC NameN-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)Nn2c(-c3ccccc3I)nc(C)c2C(C)C)c1C
InChIInChI=1S/C22H24IN3O2/c1-13(2)20-15(4)24-21(17-9-6-7-11-18(17)23)26(20)25-22(27)16-10-8-12-19(28-5)14(16)3/h6-13H,1-5H3,(H,25,27)
InChIKeyCIXBKMWNMPDAOO-UHFFFAOYSA-N
XLogP5.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.36
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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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
N-(4,5-dimethyl-2-phenylimidazol-1-yl)-4-(trifluoromethoxy)benzamide
CID 9969699
2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide
CID 11269925
2-(2-methoxyphenyl)-7-methyl-5-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136332530
2-isocyano-7-(3-methoxyphenyl)-6-methyl-3-phenyl-5H-imidazo[1,2-b]pyridazin-8-one
CID 153502913
N-(4,5-dimethyl-2-phenylimidazol-1-yl)-4-methoxybenzamide
CID 9901671
N-[2-(2,3-dimethylphenyl)-5-methylimidazol-1-yl]-3-methoxy-2-methylbenzamide
CID 9968229
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-methoxy-2-methylbenzamide
CID 9969006
N-[2-(2-bromophenyl)-4,5-dimethylimidazol-1-yl]-3-methoxy-2-methylbenzamide
CID 10112438
N-[2-(2-chloro-4-nitrophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide
CID 10114311
N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-3,5-dimethoxybenzamide
CID 10133431

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide?
The IUPAC name of N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide (CID 10163353) is N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide?
The canonical SMILES for N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide is COc1cccc(C(=O)Nn2c(-c3ccccc3I)nc(C)c2C(C)C)c1C.
What is the InChIKey of N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide?
The InChIKey is CIXBKMWNMPDAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24IN3O2/c1-13(2)20-15(4)24-21(17-9-6-7-11-18(17)23)26(20)25-22(27)16-10-8-12-19(28-5)14(16)3/h6-13H,1-5H3,(H,25,27).
What are the key properties of N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide?
N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide has a molecular weight of 489.36 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-iodophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 10163353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).