2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole

C40H31F3N4O4 — CID 175398068

IUPAC2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole
SMILESCOc1cccc(-c2nc(-c3nc(-c4cccc(OC)c4)c(-c4cccc(OC)c4)n3-c3ccc(F)c(F)c3F)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C40H31F3N4O4/c1-48-27-13-5-9-23(19-27)35-36(24-10-6-14-28(20-24)49-2)45-39(44-35)40-46-37(25-11-7-15-29(21-25)50-3)38(26-12-8-16-30(22-26)51-4)47(40)32-18-17-31(41)33(42)34(32)43/h5-22H,1-4H3,(H,44,45)
InChIKeyPOQARJVAIOZWKZ-UHFFFAOYSA-N
MW688.71 g/mol
LogP9.38
Rot. Bonds10

About 2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole

2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole (PubChem CID 175398068) has the molecular formula C40H31F3N4O4 and a molecular weight of 688.71 g/mol. Its IUPAC name is 2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole.

Molecular Properties

Compound Name2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole
PubChem CID175398068
Molecular FormulaC40H31F3N4O4
Molecular Weight688.71 g/mol
Exact Mass688.23
IUPAC Name2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole
SMILESCOc1cccc(-c2nc(-c3nc(-c4cccc(OC)c4)c(-c4cccc(OC)c4)n3-c3ccc(F)c(F)c3F)[nH]c2-c2cccc(OC)c2)c1
InChIInChI=1S/C40H31F3N4O4/c1-48-27-13-5-9-23(19-27)35-36(24-10-6-14-28(20-24)49-2)45-39(44-35)40-46-37(25-11-7-15-29(21-25)50-3)38(26-12-8-16-30(22-26)51-4)47(40)32-18-17-31(41)33(42)34(32)43/h5-22H,1-4H3,(H,44,45)
InChIKeyPOQARJVAIOZWKZ-UHFFFAOYSA-N
XLogP9.38
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.71
LogP ≤ 59.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)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

2-[2-fluoro-4-(trifluoromethyl)phenyl]-4,5-bis(3-methoxyphenyl)-1H-imidazole
CID 141217433
2-(4,5-diphenyl-1H-imidazol-2-yl)-1-(2-methoxyphenyl)-4,5-diphenylimidazole
CID 19870296
4,5-bis(3-methoxyphenyl)-2-(2-phenylphenyl)-1H-imidazole
CID 151753479
2-(2,5-dimethoxyphenyl)-4,5-bis(3-methoxyphenyl)-1H-imidazole
CID 6618129
4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
CID 1110224
3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
CID 132588517
4-[4-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine
CID 54423867
4-[2-(3-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 10019342
4,4,5-tris(3-methoxyphenyl)-2-[4-(3-methoxyphenyl)-5-(2,3,4,6-tetrafluorophenyl)-1H-imidazol-2-yl]imidazole
CID 175587739
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 58875260
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole?
The IUPAC name of 2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole (CID 175398068) is 2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole.
What is the SMILES notation for 2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole?
The canonical SMILES for 2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole is COc1cccc(-c2nc(-c3nc(-c4cccc(OC)c4)c(-c4cccc(OC)c4)n3-c3ccc(F)c(F)c3F)[nH]c2-c2cccc(OC)c2)c1.
What is the InChIKey of 2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole?
The InChIKey is POQARJVAIOZWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31F3N4O4/c1-48-27-13-5-9-23(19-27)35-36(24-10-6-14-28(20-24)49-2)45-39(44-35)40-46-37(25-11-7-15-29(21-25)50-3)38(26-12-8-16-30(22-26)51-4)47(40)32-18-17-31(41)33(42)34(32)43/h5-22H,1-4H3,(H,44,45).
What are the key properties of 2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole?
2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole has a molecular weight of 688.71 g/mol, XLogP of 9.38, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(3-methoxyphenyl)-1H-imidazol-2-yl]-4,5-bis(3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)imidazole is sourced from PubChem (CID 175398068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).