5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole

C22H23Cl3N2O2 — CID 146484352

IUPAC5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole
SMILESCC(C)(c1ccc(OCc2cnc[nH]2)cc1)c1cc(Cl)c(OCCCCl)c(Cl)c1
InChIInChI=1S/C22H23Cl3N2O2/c1-22(2,16-10-19(24)21(20(25)11-16)28-9-3-8-23)15-4-6-18(7-5-15)29-13-17-12-26-14-27-17/h4-7,10-12,14H,3,8-9,13H2,1-2H3,(H,26,27)
InChIKeyDBJOFYLFDIXBAK-UHFFFAOYSA-N
MW453.80 g/mol
LogP6.63
Rot. Bonds9

About 5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole

5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole (PubChem CID 146484352) has the molecular formula C22H23Cl3N2O2 and a molecular weight of 453.80 g/mol. Its IUPAC name is 5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole
PubChem CID146484352
Molecular FormulaC22H23Cl3N2O2
Molecular Weight453.80 g/mol
Exact Mass452.08
IUPAC Name5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole
SMILESCC(C)(c1ccc(OCc2cnc[nH]2)cc1)c1cc(Cl)c(OCCCCl)c(Cl)c1
InChIInChI=1S/C22H23Cl3N2O2/c1-22(2,16-10-19(24)21(20(25)11-16)28-9-3-8-23)15-4-6-18(7-5-15)29-13-17-12-26-14-27-17/h4-7,10-12,14H,3,8-9,13H2,1-2H3,(H,26,27)
InChIKeyDBJOFYLFDIXBAK-UHFFFAOYSA-N
XLogP6.63
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.80
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole 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

1-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]-4-methylpentan-2-one
CID 158661519
5-[[4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]phenoxy]methyl]-1-methyl-2-methylsulfonylimidazole
CID 146536002
3-[2,6-dichloro-4-[2-[4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol;methanol
CID 145382547
1-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]-3-imidazol-1-ylpropan-2-ol
CID 145382414
3-[4-[2-[3-chloro-4-(3-chloropropoxy)-5-methylphenyl]propan-2-yl]phenoxy]-N,N-dipropylpropan-1-amine
CID 170379967
5-[[4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole
CID 146520539
1-(3-chloropropoxy)-4-[2-[4-(3-fluoropropoxy)phenyl]propan-2-yl]benzene
CID 121289647
N-[5-[[4-[2-(4-butoxy-3,5-dichlorophenyl)propan-2-yl]phenoxy]methyl]-1,2-oxazol-3-yl]acetamide
CID 159732407
1-chloro-3-[2,6-dichloro-4-[2-[4-(4-fluorobutoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 145382428
5-[[4-[2-[3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-4-methylsulfonyl-1,3-oxazole
CID 146484383
4-[2-[3-chloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenol
CID 145119525
2-[4-[[4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-4-(trifluoromethyl)azetidin-2-ol
CID 168874080

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole?
The IUPAC name of 5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole (CID 146484352) is 5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole.
What is the SMILES notation for 5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole?
The canonical SMILES for 5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole is CC(C)(c1ccc(OCc2cnc[nH]2)cc1)c1cc(Cl)c(OCCCCl)c(Cl)c1.
What is the InChIKey of 5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole?
The InChIKey is DBJOFYLFDIXBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl3N2O2/c1-22(2,16-10-19(24)21(20(25)11-16)28-9-3-8-23)15-4-6-18(7-5-15)29-13-17-12-26-14-27-17/h4-7,10-12,14H,3,8-9,13H2,1-2H3,(H,26,27).
What are the key properties of 5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole?
5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole has a molecular weight of 453.80 g/mol, XLogP of 6.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]methyl]-1H-imidazole is sourced from PubChem (CID 146484352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).