5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole

C24H18FNOS — CID 176907989

IUPAC5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole
SMILESCOc1ccc(-c2c(-c3sc4ccccc4c3C)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C24H18FNOS/c1-14-18-5-3-4-6-21(18)28-24(14)23-22(15-7-10-17(27-2)11-8-15)19-13-16(25)9-12-20(19)26-23/h3-13,26H,1-2H3
InChIKeyHPBATOOHQVVTOC-UHFFFAOYSA-N
MW387.48 g/mol
LogP7.17
Rot. Bonds3

About 5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole

5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole (PubChem CID 176907989) has the molecular formula C24H18FNOS and a molecular weight of 387.48 g/mol. Its IUPAC name is 5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole
PubChem CID176907989
Molecular FormulaC24H18FNOS
Molecular Weight387.48 g/mol
Exact Mass387.11
IUPAC Name5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole
SMILESCOc1ccc(-c2c(-c3sc4ccccc4c3C)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C24H18FNOS/c1-14-18-5-3-4-6-21(18)28-24(14)23-22(15-7-10-17(27-2)11-8-15)19-13-16(25)9-12-20(19)26-23/h3-13,26H,1-2H3
InChIKeyHPBATOOHQVVTOC-UHFFFAOYSA-N
XLogP7.17
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indoxole
CID 21129
4-(3-(4-methoxyphenyl)-1H-indol-2-yl)benzenesulfonamide
CID 10429739
3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)-1H-indole
CID 10452212
4-[3-(4-(111C)methoxyphenyl)-1H-indol-2-yl]benzenesulfonamide
CID 168287185
6-Methanesulfonyl-3-(4-methoxy-benzyl)-2-methyl-1H-indole
CID 11244379
2-thiophen-2-yl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 53467188
1-(3-Fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-YL)ethyl]-3-[(thiophen-2-YL)methyl]thiourea
CID 2158155
1-(4-Fluorophenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-YL)ethyl]-3-[(thiophen-2-YL)methyl]thiourea
CID 2158156
2-(4-Methoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indole
CID 24818819
4-[3-(1H-indol-6-yl)-5-methoxy-1-benzothiophen-2-yl]-N,N-dimethylaniline
CID 44202212
4-{4-[2-(2-Benzo[b]thiophen-3-yl-1H-indol-3-yl)-ethylamino]-butyl}-phenol
CID 44365252
2-thiophen-3-yl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 53469830

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole?
The IUPAC name of 5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole (CID 176907989) is 5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole.
What is the SMILES notation for 5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole?
The canonical SMILES for 5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole is COc1ccc(-c2c(-c3sc4ccccc4c3C)[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of 5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole?
The InChIKey is HPBATOOHQVVTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNOS/c1-14-18-5-3-4-6-21(18)28-24(14)23-22(15-7-10-17(27-2)11-8-15)19-13-16(25)9-12-20(19)26-23/h3-13,26H,1-2H3.
What are the key properties of 5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole?
5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole has a molecular weight of 387.48 g/mol, XLogP of 7.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(4-methoxyphenyl)-2-(3-methyl-1-benzothiophen-2-yl)-1H-indole is sourced from PubChem (CID 176907989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).