4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol

C118H128N14O5 — CID 158018191

IUPAC4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol
SMILESCC(=O)n1c(-c2cc(C)c(O)c(C)c2)nc(-c2ccc(N(C)C)cc2)c1-c1ccc(N(C)C)cc1.CCN(CC)c1ccc(-c2nc(-c3cc(C)c(O)c(C)c3)n(-c3ccccc3)c2-c2ccc(N(CC)CC)cc2)cc1.Cc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc(C)c1O.Cc1ccc(-c2nc(-c3cc(C)c(O)c(C)c3)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C37H42N4O.C29H32N4O2.C27H30N4O.C25H24N2O/c1-7-39(8-2)31-20-16-28(17-21-31)34-35(29-18-22-32(23-19-29)40(9-3)10-4)41(33-14-12-11-13-15-33)37(38-34)30-24-26(5)36(42)27(6)25-30;1-18-16-23(17-19(2)28(18)35)29-30-26(21-8-12-24(13-9-21)31(4)5)27(33(29)20(3)34)22-10-14-25(15-11-22)32(6)7;1-17-15-21(16-18(2)26(17)32)27-28-24(19-7-11-22(12-8-19)30(3)4)25(29-27)20-9-13-23(14-10-20)31(5)6;1-15-5-9-19(10-6-15)22-23(20-11-7-16(2)8-12-20)27-25(26-22)21-13-17(3)24(28)18(4)14-21/h11-25,42H,7-10H2,1-6H3;8-17,35H,1-7H3;7-16,32H,1-6H3,(H,28,29);5-14,28H,1-4H3,(H,26,27)
InChIKeyFFSUTJOZZLBDEB-UHFFFAOYSA-N
MW1822.41 g/mol
LogP27.10
Rot. Bonds23

About 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol

4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol (PubChem CID 158018191) has the molecular formula C118H128N14O5 and a molecular weight of 1822.41 g/mol. Its IUPAC name is 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol
PubChem CID158018191
Molecular FormulaC118H128N14O5
Molecular Weight1822.41 g/mol
Exact Mass1821.02
IUPAC Name4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol
SMILESCC(=O)n1c(-c2cc(C)c(O)c(C)c2)nc(-c2ccc(N(C)C)cc2)c1-c1ccc(N(C)C)cc1.CCN(CC)c1ccc(-c2nc(-c3cc(C)c(O)c(C)c3)n(-c3ccccc3)c2-c2ccc(N(CC)CC)cc2)cc1.Cc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc(C)c1O.Cc1ccc(-c2nc(-c3cc(C)c(O)c(C)c3)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C37H42N4O.C29H32N4O2.C27H30N4O.C25H24N2O/c1-7-39(8-2)31-20-16-28(17-21-31)34-35(29-18-22-32(23-19-29)40(9-3)10-4)41(33-14-12-11-13-15-33)37(38-34)30-24-26(5)36(42)27(6)25-30;1-18-16-23(17-19(2)28(18)35)29-30-26(21-8-12-24(13-9-21)31(4)5)27(33(29)20(3)34)22-10-14-25(15-11-22)32(6)7;1-17-15-21(16-18(2)26(17)32)27-28-24(19-7-11-22(12-8-19)30(3)4)25(29-27)20-9-13-23(14-10-20)31(5)6;1-15-5-9-19(10-6-15)22-23(20-11-7-16(2)8-12-20)27-25(26-22)21-13-17(3)24(28)18(4)14-21/h11-25,42H,7-10H2,1-6H3;8-17,35H,1-7H3;7-16,32H,1-6H3,(H,28,29);5-14,28H,1-4H3,(H,26,27)
InChIKeyFFSUTJOZZLBDEB-UHFFFAOYSA-N
XLogP27.10
TPSA210.43 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001822.41
LogP ≤ 527.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Analyze 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol with MolForge

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Related Compounds

2-[[1H-benzimidazol-2-ylmethyl(benzyl)amino]methyl]-6-[[bis(1H-benzimidazol-2-ylmethyl)amino]methyl]-4-methylphenol;hydrochloride
CID 386989
2-(((1H-Benzimidazol-2-ylmethyl)(benzyl)amino)methyl)-6-((bis(1H-benzimidazol-2-ylmethyl)amino)methyl)-4-methylphenol hydrochloride
CID 386990
2,6-Bis[bis(2-benzimidazolyl-methyl)aminomethyl]-4-methylphenol
CID 15794189
bis(2,6-bis(4,5-diphenyl-1H-imidazol-2-yl)-4-methylphenol);oxolane
CID 139176132
2,6-Bis[bis(2-(1-(4-ethenylphenyl))-benzimidazolylmethyl)aminomethyl]-4-methylphenol
CID 172879431
4-[2-[2-[4-[4,12-bis[4-(diethylamino)phenyl]-2,2-difluoro-10-phenyl-1,8-diaza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-6-yl]phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-2,6-ditert-butylphenol
CID 177452688
2,6-bis[2-amino-1,3-bis(1H-benzimidazol-2-yl)propan-2-yl]-4-methylphenol
CID 53645798
2,6-Bis[[bis[[1-[(4-ethenylphenyl)methyl]benzimidazol-2-yl]methyl]amino]methyl]-4-methylphenol
CID 57540465
[4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenyl] N-phenylcarbamate;[4-[4,5-bis(4-hydroxyphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenyl] N-methylcarbamate
CID 123722306
1-[4,5-Bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone
CID 136018564
4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-diphenylphenol
CID 136068957
N-[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-[4-(2,2-dimethylpropanoylamino)phenyl]-1H-imidazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 136068960

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol (CID 158018191) is 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol is CC(=O)n1c(-c2cc(C)c(O)c(C)c2)nc(-c2ccc(N(C)C)cc2)c1-c1ccc(N(C)C)cc1.CCN(CC)c1ccc(-c2nc(-c3cc(C)c(O)c(C)c3)n(-c3ccccc3)c2-c2ccc(N(CC)CC)cc2)cc1.Cc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc(C)c1O.Cc1ccc(-c2nc(-c3cc(C)c(O)c(C)c3)[nH]c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol?
The InChIKey is FFSUTJOZZLBDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N4O.C29H32N4O2.C27H30N4O.C25H24N2O/c1-7-39(8-2)31-20-16-28(17-21-31)34-35(29-18-22-32(23-19-29)40(9-3)10-4)41(33-14-12-11-13-15-33)37(38-34)30-24-26(5)36(42)27(6)25-30;1-18-16-23(17-19(2)28(18)35)29-30-26(21-8-12-24(13-9-21)31(4)5)27(33(29)20(3)34)22-10-14-25(15-11-22)32(6)7;1-17-15-21(16-18(2)26(17)32)27-28-24(19-7-11-22(12-8-19)30(3)4)25(29-27)20-9-13-23(14-10-20)31(5)6;1-15-5-9-19(10-6-15)22-23(20-11-7-16(2)8-12-20)27-25(26-22)21-13-17(3)24(28)18(4)14-21/h11-25,42H,7-10H2,1-6H3;8-17,35H,1-7H3;7-16,32H,1-6H3,(H,28,29);5-14,28H,1-4H3,(H,26,27).
What are the key properties of 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol?
4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol has a molecular weight of 1822.41 g/mol, XLogP of 27.10, 23 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-2,6-dimethylphenol;1-[4,5-bis[4-(dimethylamino)phenyl]-2-(4-hydroxy-3,5-dimethylphenyl)imidazol-1-yl]ethanone;4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,6-dimethylphenol;4-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2,6-dimethylphenol is sourced from PubChem (CID 158018191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).