5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole

C70H68Cl2N6 — CID 88506910

IUPAC5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole
SMILESCc1cccc(C(CCc2cnc[nH]2)c2cccc(C)c2)c1.Clc1ccc(Cn2cnc(CCC(c3ccccc3)c3ccccc3)c2)cc1.Clc1ccc(Cn2cncc2CCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C25H23ClN2.C20H22N2/c26-23-13-11-20(12-14-23)18-28-19-27-17-24(28)15-16-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22;26-23-13-11-20(12-14-23)17-28-18-24(27-19-28)15-16-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22;1-15-5-3-7-17(11-15)20(10-9-19-13-21-14-22-19)18-8-4-6-16(2)12-18/h1-14,17,19,25H,15-16,18H2;1-14,18-19,25H,15-17H2;3-8,11-14,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyGASSKACTQABECF-UHFFFAOYSA-N
MW1064.26 g/mol
LogP17.49
Rot. Bonds19

About 5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole

5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole (PubChem CID 88506910) has the molecular formula C70H68Cl2N6 and a molecular weight of 1064.26 g/mol. Its IUPAC name is 5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole.

Molecular Properties

Compound Name5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole
PubChem CID88506910
Molecular FormulaC70H68Cl2N6
Molecular Weight1064.26 g/mol
Exact Mass1062.49
IUPAC Name5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole
SMILESCc1cccc(C(CCc2cnc[nH]2)c2cccc(C)c2)c1.Clc1ccc(Cn2cnc(CCC(c3ccccc3)c3ccccc3)c2)cc1.Clc1ccc(Cn2cncc2CCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C25H23ClN2.C20H22N2/c26-23-13-11-20(12-14-23)18-28-19-27-17-24(28)15-16-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22;26-23-13-11-20(12-14-23)17-28-18-24(27-19-28)15-16-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22;1-15-5-3-7-17(11-15)20(10-9-19-13-21-14-22-19)18-8-4-6-16(2)12-18/h1-14,17,19,25H,15-16,18H2;1-14,18-19,25H,15-17H2;3-8,11-14,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyGASSKACTQABECF-UHFFFAOYSA-N
XLogP17.49
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001064.26
LogP ≤ 517.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole?
The IUPAC name of 5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole (CID 88506910) is 5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole.
What is the SMILES notation for 5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole?
The canonical SMILES for 5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole is Cc1cccc(C(CCc2cnc[nH]2)c2cccc(C)c2)c1.Clc1ccc(Cn2cnc(CCC(c3ccccc3)c3ccccc3)c2)cc1.Clc1ccc(Cn2cncc2CCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole?
The InChIKey is GASSKACTQABECF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23ClN2.C20H22N2/c26-23-13-11-20(12-14-23)18-28-19-27-17-24(28)15-16-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22;26-23-13-11-20(12-14-23)17-28-18-24(27-19-28)15-16-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22;1-15-5-3-7-17(11-15)20(10-9-19-13-21-14-22-19)18-8-4-6-16(2)12-18/h1-14,17,19,25H,15-16,18H2;1-14,18-19,25H,15-17H2;3-8,11-14,20H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole?
5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole has a molecular weight of 1064.26 g/mol, XLogP of 17.49, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-bis(3-methylphenyl)propyl]-1H-imidazole;1-[(4-chlorophenyl)methyl]-4-(3,3-diphenylpropyl)imidazole;1-[(4-chlorophenyl)methyl]-5-(3,3-diphenylpropyl)imidazole is sourced from PubChem (CID 88506910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).