3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole

C24H17F2N3O — CID 139757971

IUPAC3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3F)[nH]c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H17F2N3O/c1-30-16-9-6-14(7-10-16)22-23(19-13-27-21-5-3-2-4-17(19)21)29-24(28-22)18-11-8-15(25)12-20(18)26/h2-13,27H,1H3,(H,28,29)
InChIKeyBUMBZRQYUNHFDY-UHFFFAOYSA-N
MW401.42 g/mol
LogP6.18
Rot. Bonds4

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

3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole (PubChem CID 139757971) has the molecular formula C24H17F2N3O and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
PubChem CID139757971
Molecular FormulaC24H17F2N3O
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3F)[nH]c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H17F2N3O/c1-30-16-9-6-14(7-10-16)22-23(19-13-27-21-5-3-2-4-17(19)21)29-24(28-22)18-11-8-15(25)12-20(18)26/h2-13,27H,1H3,(H,28,29)
InChIKeyBUMBZRQYUNHFDY-UHFFFAOYSA-N
XLogP6.18
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,4-bis(4-fluorophenyl)-1H-imidazol-5-yl]-1H-indole
CID 139758003
3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
CID 139927237
3-[4-(4-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1H-imidazol-5-yl]-1H-indole
CID 139927242
3-[5-(4-phenoxyphenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 4207500
3-[4-(4-methoxy-3-methylphenyl)-5-phenyl-1H-imidazol-2-yl]-1H-indole
CID 71103113
3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole
CID 6405233
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 171396109
3-[4-[7-[2-(1H-indol-3-yl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-3-yl]-5-phenyl-1H-imidazol-2-yl]-1H-indole
CID 135407484
2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
CID 71481907
2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde
CID 170347737
2-(2,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 1036272

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
The IUPAC name of 3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole (CID 139757971) is 3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole is COc1ccc(-c2nc(-c3ccc(F)cc3F)[nH]c2-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
The InChIKey is BUMBZRQYUNHFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O/c1-30-16-9-6-14(7-10-16)22-23(19-13-27-21-5-3-2-4-17(19)21)29-24(28-22)18-11-8-15(25)12-20(18)26/h2-13,27H,1H3,(H,28,29).
What are the key properties of 3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole has a molecular weight of 401.42 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole is sourced from PubChem (CID 139757971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).