N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide

C24H22Cl2N4O3 — CID 174284212

IUPACN-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCc1ccc(-c2ncn(C)c2-c2ccc(Cl)cc2Cl)cc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C24H22Cl2N4O3/c1-14-3-4-15(9-16(14)11-30(13-31)20-7-8-21(32)28-24(20)33)22-23(29(2)12-27-22)18-6-5-17(25)10-19(18)26/h3-6,9-10,12-13,20H,7-8,11H2,1-2H3,(H,28,32,33)
InChIKeySAAMWZACVGRQGM-UHFFFAOYSA-N
MW485.37 g/mol
LogP4.13
Rot. Bonds6

About N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide

N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide (PubChem CID 174284212) has the molecular formula C24H22Cl2N4O3 and a molecular weight of 485.37 g/mol. Its IUPAC name is N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

Compound NameN-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
PubChem CID174284212
Molecular FormulaC24H22Cl2N4O3
Molecular Weight485.37 g/mol
Exact Mass484.11
IUPAC NameN-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCc1ccc(-c2ncn(C)c2-c2ccc(Cl)cc2Cl)cc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C24H22Cl2N4O3/c1-14-3-4-15(9-16(14)11-30(13-31)20-7-8-21(32)28-24(20)33)22-23(29(2)12-27-22)18-6-5-17(25)10-19(18)26/h3-6,9-10,12-13,20H,7-8,11H2,1-2H3,(H,28,32,33)
InChIKeySAAMWZACVGRQGM-UHFFFAOYSA-N
XLogP4.13
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The IUPAC name of N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide (CID 174284212) is N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide.
What is the SMILES notation for N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The canonical SMILES for N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide is Cc1ccc(-c2ncn(C)c2-c2ccc(Cl)cc2Cl)cc1CN(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The InChIKey is SAAMWZACVGRQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O3/c1-14-3-4-15(9-16(14)11-30(13-31)20-7-8-21(32)28-24(20)33)22-23(29(2)12-27-22)18-6-5-17(25)10-19(18)26/h3-6,9-10,12-13,20H,7-8,11H2,1-2H3,(H,28,32,33).
What are the key properties of N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 485.37 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(2,4-dichlorophenyl)-1-methylimidazol-4-yl]-2-methylphenyl]methyl]-N-(2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 174284212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).