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

C65H74N8O2 — CID 137125078

IUPAC2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol
SMILESCCN(CC)c1ccc(-c2nc(-c3cc(C)cc(C)c3O)n(-c3ccccc3)c2-c2ccc(N(CC)CC)cc2)cc1.Cc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)c(O)c(C)c1C
InChIInChI=1S/C37H42N4O.C28H32N4O/c1-7-39(8-2)30-20-16-28(17-21-30)34-35(29-18-22-31(23-19-29)40(9-3)10-4)41(32-14-12-11-13-15-32)37(38-34)33-25-26(5)24-27(6)36(33)42;1-17-16-24(27(33)19(3)18(17)2)28-29-25(20-8-12-22(13-9-20)31(4)5)26(30-28)21-10-14-23(15-11-21)32(6)7/h11-25,42H,7-10H2,1-6H3;8-16,33H,1-7H3,(H,29,30)
InChIKeyYYZXWLJQQMCTIF-UHFFFAOYSA-N
MW999.36 g/mol
LogP15.06
Rot. Bonds15

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

2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol (PubChem CID 137125078) has the molecular formula C65H74N8O2 and a molecular weight of 999.36 g/mol. Its IUPAC name is 2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol.

Molecular Properties

Compound Name2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol
PubChem CID137125078
Molecular FormulaC65H74N8O2
Molecular Weight999.36 g/mol
Exact Mass998.59
IUPAC Name2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol
SMILESCCN(CC)c1ccc(-c2nc(-c3cc(C)cc(C)c3O)n(-c3ccccc3)c2-c2ccc(N(CC)CC)cc2)cc1.Cc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)c(O)c(C)c1C
InChIInChI=1S/C37H42N4O.C28H32N4O/c1-7-39(8-2)30-20-16-28(17-21-30)34-35(29-18-22-31(23-19-29)40(9-3)10-4)41(32-14-12-11-13-15-32)37(38-34)33-25-26(5)24-27(6)36(33)42;1-17-16-24(27(33)19(3)18(17)2)28-29-25(20-8-12-22(13-9-20)31(4)5)26(30-28)21-10-14-23(15-11-21)32(6)7/h11-25,42H,7-10H2,1-6H3;8-16,33H,1-7H3,(H,29,30)
InChIKeyYYZXWLJQQMCTIF-UHFFFAOYSA-N
XLogP15.06
TPSA99.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.36
LogP ≤ 515.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Related Compounds

1-[1-[(1-Hydroxynaphthalen-2-yl)methyl]benzimidazol-2-yl]naphthalen-2-ol
CID 136257959
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-[(R)-1H-benzimidazol-2-yl-[5-[4-(1-methylpiperidin-4-yl)phenyl]-1,3-dihydroisoindol-2-yl]methyl]-4-fluorophenol
CID 164883980
2-(4,5-diphenyl-1H-imidazol-2-yl)naphthalen-1-ol
CID 1813739
1-(4,5-diphenyl-1H-imidazol-2-yl)naphthalen-2-ol
CID 3586033
2,6-Bis[bis(2-benzimidazolyl-methyl)aminomethyl]-4-methylphenol
CID 15794189
2,5-Bis(4,5-diphenyl-1h-imidazol-2-yl)benzene-1,4-diol
CID 136400672
1-(1,4,5-Triphenyl-1h-imidazol-2-yl)naphthalen-2-ol
CID 136746120
5-ethyl-2-fluoro-4-[6-[5-[(4-hydroxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol
CID 150106194
5-ethyl-2-fluoro-4-[6-[5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol
CID 150603408
5-ethyl-2-fluoro-4-[6-[5-[(3-hydroxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-8H-carbazol-3-yl]phenol
CID 150977600

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol?
The IUPAC name of 2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol (CID 137125078) is 2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol.
What is the SMILES notation for 2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol?
The canonical SMILES for 2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol is CCN(CC)c1ccc(-c2nc(-c3cc(C)cc(C)c3O)n(-c3ccccc3)c2-c2ccc(N(CC)CC)cc2)cc1.Cc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)c(O)c(C)c1C.
What is the InChIKey of 2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol?
The InChIKey is YYZXWLJQQMCTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N4O.C28H32N4O/c1-7-39(8-2)30-20-16-28(17-21-30)34-35(29-18-22-31(23-19-29)40(9-3)10-4)41(32-14-12-11-13-15-32)37(38-34)33-25-26(5)24-27(6)36(33)42;1-17-16-24(27(33)19(3)18(17)2)28-29-25(20-8-12-22(13-9-20)31(4)5)26(30-28)21-10-14-23(15-11-21)32(6)7/h11-25,42H,7-10H2,1-6H3;8-16,33H,1-7H3,(H,29,30).
What are the key properties of 2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol?
2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol has a molecular weight of 999.36 g/mol, XLogP of 15.06, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis[4-(diethylamino)phenyl]-1-phenylimidazol-2-yl]-4,6-dimethylphenol;6-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]-2,3,4-trimethylphenol is sourced from PubChem (CID 137125078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).