5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole

C24H17F2N3O — CID 139758008

IUPAC5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2c[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C24H17F2N3O/c1-30-18-9-4-14(5-10-18)22-23(20-13-27-21-11-8-17(26)12-19(20)21)29-24(28-22)15-2-6-16(25)7-3-15/h2-13,27H,1H3,(H,28,29)
InChIKeyVJZPCRUIPODXIZ-UHFFFAOYSA-N
MW401.42 g/mol
LogP6.18
Rot. Bonds4

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

5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole (PubChem CID 139758008) has the molecular formula C24H17F2N3O and a molecular weight of 401.42 g/mol. Its IUPAC name is 5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
PubChem CID139758008
Molecular FormulaC24H17F2N3O
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
SMILESCOc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2c[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C24H17F2N3O/c1-30-18-9-4-14(5-10-18)22-23(20-13-27-21-11-8-17(26)12-19(20)21)29-24(28-22)15-2-6-16(25)7-3-15/h2-13,27H,1H3,(H,28,29)
InChIKeyVJZPCRUIPODXIZ-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

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CID 16114404
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
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6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789
2,6-Bis(4-methoxyphenyl)purine
CID 11493677
2-(4-methoxyphenyl)-6-phenyl-9H-purine
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CID 24983496
2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195227
2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195228

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
The IUPAC name of 5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole (CID 139758008) is 5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole is COc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2c[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of 5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
The InChIKey is VJZPCRUIPODXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O/c1-30-18-9-4-14(5-10-18)22-23(20-13-27-21-11-8-17(26)12-19(20)21)29-24(28-22)15-2-6-16(25)7-3-15/h2-13,27H,1H3,(H,28,29).
What are the key properties of 5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
5-fluoro-3-[2-(4-fluorophenyl)-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 5-fluoro-3-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole is sourced from PubChem (CID 139758008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).