3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole

C25H19F2N3O2 — CID 139927237

IUPAC3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
SMILESCOc1ccc(-c2nc(-c3ccc(OC(F)F)cc3)[nH]c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H19F2N3O2/c1-31-17-10-6-15(7-11-17)22-23(20-14-28-21-5-3-2-4-19(20)21)30-24(29-22)16-8-12-18(13-9-16)32-25(26)27/h2-14,25,28H,1H3,(H,29,30)
InChIKeyYXRNWZYVPUHIHR-UHFFFAOYSA-N
MW431.44 g/mol
LogP6.50
Rot. Bonds6

About 3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole

3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole (PubChem CID 139927237) has the molecular formula C25H19F2N3O2 and a molecular weight of 431.44 g/mol. Its IUPAC name is 3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole.

Molecular Properties

Compound Name3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
PubChem CID139927237
Molecular FormulaC25H19F2N3O2
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
SMILESCOc1ccc(-c2nc(-c3ccc(OC(F)F)cc3)[nH]c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H19F2N3O2/c1-31-17-10-6-15(7-11-17)22-23(20-14-28-21-5-3-2-4-19(20)21)30-24(29-22)16-8-12-18(13-9-16)32-25(26)27/h2-14,25,28H,1H3,(H,29,30)
InChIKeyYXRNWZYVPUHIHR-UHFFFAOYSA-N
XLogP6.50
TPSA62.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole
CID 139927242
3-[2,4-bis(4-fluorophenyl)-1H-imidazol-5-yl]-1H-indole
CID 139758003
3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139757971
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 4207500
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole
CID 6405233
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103113
2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 171396109
2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
CID 71481907
3-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 135420505

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
The IUPAC name of 3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole (CID 139927237) is 3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole.
What is the SMILES notation for 3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
The canonical SMILES for 3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole is COc1ccc(-c2nc(-c3ccc(OC(F)F)cc3)[nH]c2-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
The InChIKey is YXRNWZYVPUHIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O2/c1-31-17-10-6-15(7-11-17)22-23(20-14-28-21-5-3-2-4-19(20)21)30-24(29-22)16-8-12-18(13-9-16)32-25(26)27/h2-14,25,28H,1H3,(H,29,30).
What are the key properties of 3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole has a molecular weight of 431.44 g/mol, XLogP of 6.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole is sourced from PubChem (CID 139927237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).