2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole

C20H16F3N3O — CID 71568446

IUPAC2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole
SMILESCOc1ccc2cc(Cn3ccnc3)n(-c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C20H16F3N3O/c1-27-18-7-2-14-10-17(12-25-9-8-24-13-25)26(19(14)11-18)16-5-3-15(4-6-16)20(21,22)23/h2-11,13H,12H2,1H3
InChIKeyGODKECLACFPDEO-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.90
Rot. Bonds4

About 2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole

2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole (PubChem CID 71568446) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole
PubChem CID71568446
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole
SMILESCOc1ccc2cc(Cn3ccnc3)n(-c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C20H16F3N3O/c1-27-18-7-2-14-10-17(12-25-9-8-24-13-25)26(19(14)11-18)16-5-3-15(4-6-16)20(21,22)23/h2-11,13H,12H2,1H3
InChIKeyGODKECLACFPDEO-UHFFFAOYSA-N
XLogP4.90
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole?
The IUPAC name of 2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole (CID 71568446) is 2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole is COc1ccc2cc(Cn3ccnc3)n(-c3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of 2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole?
The InChIKey is GODKECLACFPDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-27-18-7-2-14-10-17(12-25-9-8-24-13-25)26(19(14)11-18)16-5-3-15(4-6-16)20(21,22)23/h2-11,13H,12H2,1H3.
What are the key properties of 2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole?
2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole has a molecular weight of 371.36 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 71568446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).