1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole

C21H15ClF3NOS — CID 174701332

IUPAC1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole
SMILESCc1c(-c2cccs2)c2cc(OC(F)(F)F)ccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClF3NOS/c1-13-20(19-3-2-10-28-19)17-11-16(27-21(23,24)25)8-9-18(17)26(13)12-14-4-6-15(22)7-5-14/h2-11H,12H2,1H3
InChIKeySRSGXNGRBCEWNX-UHFFFAOYSA-N
MW421.87 g/mol
LogP7.28
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole

1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole (PubChem CID 174701332) has the molecular formula C21H15ClF3NOS and a molecular weight of 421.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole
PubChem CID174701332
Molecular FormulaC21H15ClF3NOS
Molecular Weight421.87 g/mol
Exact Mass421.05
IUPAC Name1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole
SMILESCc1c(-c2cccs2)c2cc(OC(F)(F)F)ccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClF3NOS/c1-13-20(19-3-2-10-28-19)17-11-16(27-21(23,24)25)8-9-18(17)26(13)12-14-4-6-15(22)7-5-14/h2-11H,12H2,1H3
InChIKeySRSGXNGRBCEWNX-UHFFFAOYSA-N
XLogP7.28
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.87
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hamaline
CID 145927371
3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(thiophen-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid
CID 19098341
2-(4-Methoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indole
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8-Methoxy-11-methyl-6,11-dihydro-5-thia-11-aza-benzo[a]fluorene
CID 44411728
5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-2-phenyl-3-thiophen-2-ylpyrrole
CID 2727365
1,2-Dimethyl-3-[2-[2-methyl-5-(3-methoxyphenyl)-3-thienyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-1H-indole
CID 102496346
3-[3,3,4,4,5,5-Hexafluoro-2-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]cyclopenten-1-yl]-1,2-dimethylindole
CID 102496348
3-Fluoro-5-methoxy-1-methyl-2-thiophen-2-ylindole
CID 138983777
Benzyl-[[4-[3,3,4,4,5,5-hexafluoro-2-(5-methoxy-1,2-dimethylindol-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]methyl]azanium chloride
CID 139122278
1-(4-chlorobenzyl)-5-methoxy-2-methyl-1H-indole
CID 21847562
1-(4-Chlorobenzyl)-5-methoxy-2,3-dimethylindole
CID 59738405
2-[6-chloro-5-methoxy-2-methyl-1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]indol-3-yl]acetic Acid
CID 11697389

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole (CID 174701332) is 1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole is Cc1c(-c2cccs2)c2cc(OC(F)(F)F)ccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole?
The InChIKey is SRSGXNGRBCEWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3NOS/c1-13-20(19-3-2-10-28-19)17-11-16(27-21(23,24)25)8-9-18(17)26(13)12-14-4-6-15(22)7-5-14/h2-11H,12H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole?
1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole has a molecular weight of 421.87 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-methyl-3-thiophen-2-yl-5-(trifluoromethoxy)indole is sourced from PubChem (CID 174701332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).