1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole

C13H10F3N3 — CID 116883594

IUPAC1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole
SMILESCn1cc(-c2cnc(C(F)(F)F)[nH]2)c2ccccc21
InChIInChI=1S/C13H10F3N3/c1-19-7-9(8-4-2-3-5-11(8)19)10-6-17-12(18-10)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyOZEWNRMCTVUGFE-UHFFFAOYSA-N
MW265.24 g/mol
LogP3.59
Rot. Bonds1

About 1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole

1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole (PubChem CID 116883594) has the molecular formula C13H10F3N3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole.

Molecular Properties

Compound Name1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole
PubChem CID116883594
Molecular FormulaC13H10F3N3
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole
SMILESCn1cc(-c2cnc(C(F)(F)F)[nH]2)c2ccccc21
InChIInChI=1S/C13H10F3N3/c1-19-7-9(8-4-2-3-5-11(8)19)10-6-17-12(18-10)13(14,15)16/h2-7H,1H3,(H,17,18)
InChIKeyOZEWNRMCTVUGFE-UHFFFAOYSA-N
XLogP3.59
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole?
The IUPAC name of 1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole (CID 116883594) is 1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole.
What is the SMILES notation for 1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole?
The canonical SMILES for 1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole is Cn1cc(-c2cnc(C(F)(F)F)[nH]2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole?
The InChIKey is OZEWNRMCTVUGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3/c1-19-7-9(8-4-2-3-5-11(8)19)10-6-17-12(18-10)13(14,15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole?
1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole has a molecular weight of 265.24 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(trifluoromethyl)-1H-imidazol-5-yl]indole is sourced from PubChem (CID 116883594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).