1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride

C31H25Cl7N2O — CID 91982160

IUPAC1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride
SMILESCl.Clc1ccc(C(c2ccc(Cl)cc2)N2C=CN(CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C31H24Cl6N2O.ClH/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36;/h1-16,30-31H,17-19H2;1H
InChIKeyCOYSNGXBLIDKRR-UHFFFAOYSA-N
MW689.73 g/mol
LogP11.12
Rot. Bonds9

About 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride

1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride (PubChem CID 91982160) has the molecular formula C31H25Cl7N2O and a molecular weight of 689.73 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride
PubChem CID91982160
Molecular FormulaC31H25Cl7N2O
Molecular Weight689.73 g/mol
Exact Mass685.98
IUPAC Name1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride
SMILESCl.Clc1ccc(C(c2ccc(Cl)cc2)N2C=CN(CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C31H24Cl6N2O.ClH/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36;/h1-16,30-31H,17-19H2;1H
InChIKeyCOYSNGXBLIDKRR-UHFFFAOYSA-N
XLogP11.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.73
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazolidine
CID 161434696
1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-2H-imidazole;hydrochloride
CID 173462726
2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine;hydrochloride
CID 175674542
1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(4-chlorophenyl)methyl]-2H-imidazole
CID 173456025
2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanol
CID 70556653
(2R)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 156596799
2-[3-[2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-iodophenyl)ethanone
CID 21443234
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-3-[(E)-3-(2,4-dichlorophenyl)prop-2-enyl]-2H-imidazole;hydrochloride
CID 173455838
2-[3-[1-chloro-2-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazol-1-yl]-1-(4-chlorophenyl)ethanone;hydrobromide
CID 173455536
N-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]formamide
CID 15111116
N-(6-aminohexyl)-2-[3-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-2H-imidazol-1-yl]acetamide
CID 22999479

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride (CID 91982160) is 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride is Cl.Clc1ccc(C(c2ccc(Cl)cc2)N2C=CN(CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)C2)cc1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride?
The InChIKey is COYSNGXBLIDKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Cl6N2O.ClH/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36;/h1-16,30-31H,17-19H2;1H.
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride?
1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride has a molecular weight of 689.73 g/mol, XLogP of 11.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-2H-imidazole;hydrochloride is sourced from PubChem (CID 91982160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).