2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole

C18H15FN2O — CID 11514852

IUPAC2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c(Cc3cc4cc(F)ccc4[nH]3)cc2c1
InChIInChI=1S/C18H15FN2O/c1-22-16-3-5-18-12(9-16)8-15(21-18)10-14-7-11-6-13(19)2-4-17(11)20-14/h2-9,20-21H,10H2,1H3
InChIKeyXWLZXIPGMIVWEE-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.39
Rot. Bonds3

About 2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole

2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole (PubChem CID 11514852) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole
PubChem CID11514852
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c(Cc3cc4cc(F)ccc4[nH]3)cc2c1
InChIInChI=1S/C18H15FN2O/c1-22-16-3-5-18-12(9-16)8-15(21-18)10-14-7-11-6-13(19)2-4-17(11)20-14/h2-9,20-21H,10H2,1H3
InChIKeyXWLZXIPGMIVWEE-UHFFFAOYSA-N
XLogP4.39
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole?
The IUPAC name of 2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole (CID 11514852) is 2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole.
What is the SMILES notation for 2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole?
The canonical SMILES for 2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole is COc1ccc2[nH]c(Cc3cc4cc(F)ccc4[nH]3)cc2c1.
What is the InChIKey of 2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole?
The InChIKey is XWLZXIPGMIVWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-22-16-3-5-18-12(9-16)8-15(21-18)10-14-7-11-6-13(19)2-4-17(11)20-14/h2-9,20-21H,10H2,1H3.
What are the key properties of 2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole?
2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole has a molecular weight of 294.33 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-1H-indol-2-yl)methyl]-5-methoxy-1H-indole is sourced from PubChem (CID 11514852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).