3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole

C25H18F3NO — CID 59066124

IUPAC3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole
SMILESCc1c(-c2cc3ccccc3o2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H18F3NO/c1-16-24(23-14-18-8-2-5-12-22(18)30-23)20-10-3-4-11-21(20)29(16)15-17-7-6-9-19(13-17)25(26,27)28/h2-14H,15H2,1H3
InChIKeyKRMSDLNMTQAZJQ-UHFFFAOYSA-N
MW405.42 g/mol
LogP7.43
Rot. Bonds3

About 3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole

3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole (PubChem CID 59066124) has the molecular formula C25H18F3NO and a molecular weight of 405.42 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole
PubChem CID59066124
Molecular FormulaC25H18F3NO
Molecular Weight405.42 g/mol
Exact Mass405.13
IUPAC Name3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole
SMILESCc1c(-c2cc3ccccc3o2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H18F3NO/c1-16-24(23-14-18-8-2-5-12-22(18)30-23)20-10-3-4-11-21(20)29(16)15-17-7-6-9-19(13-17)25(26,27)28/h2-14H,15H2,1H3
InChIKeyKRMSDLNMTQAZJQ-UHFFFAOYSA-N
XLogP7.43
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.42
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Jwh 250
CID 44397540
2-Methyl-1-pentyl-3-(4-methoxynaphthoyl)indole
CID 45272116
SR-18
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NM-2201
CID 91864534
1-Naphthalenyl 1-((4-fluorophenyl)methyl)-1H-indole-3-carboxylate
CID 119025888
(6-methoxynaphthalen-1-yl)(2-methyl-1-propyl-1H-indol-3-yl)methanone
CID 11233636
(2-methoxynaphthalen-1-yl)(2-methyl-1-pentyl-1H-indol-3-yl)methanone
CID 11406508
Jwh-253
CID 44397405
2-(2-methoxyphenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397559
2-(4-methoxyphenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397671
1-[1-(2-o-Tolyloxy-ethyl)-1H-indol-3-yl]-ethanone
CID 951675
RCS-2-butyl
CID 57507910

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole?
The IUPAC name of 3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole (CID 59066124) is 3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole is Cc1c(-c2cc3ccccc3o2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole?
The InChIKey is KRMSDLNMTQAZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3NO/c1-16-24(23-14-18-8-2-5-12-22(18)30-23)20-10-3-4-11-21(20)29(16)15-17-7-6-9-19(13-17)25(26,27)28/h2-14H,15H2,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole?
3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole has a molecular weight of 405.42 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole is sourced from PubChem (CID 59066124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).