(5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone

C18H13FN2O — CID 11551046

IUPAC(5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone
SMILESCc1cccc2[nH]c(C(=O)c3cc4cc(F)ccc4[nH]3)cc12
InChIInChI=1S/C18H13FN2O/c1-10-3-2-4-15-13(10)9-17(21-15)18(22)16-8-11-7-12(19)5-6-14(11)20-16/h2-9,20-21H,1H3
InChIKeyCJUIAVLIOOCWIE-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.33
Rot. Bonds2

About (5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone

(5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone (PubChem CID 11551046) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone
PubChem CID11551046
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name(5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone
SMILESCc1cccc2[nH]c(C(=O)c3cc4cc(F)ccc4[nH]3)cc12
InChIInChI=1S/C18H13FN2O/c1-10-3-2-4-15-13(10)9-17(21-15)18(22)16-8-11-7-12(19)5-6-14(11)20-16/h2-9,20-21H,1H3
InChIKeyCJUIAVLIOOCWIE-UHFFFAOYSA-N
XLogP4.33
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone (CID 11551046) is (5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone is Cc1cccc2[nH]c(C(=O)c3cc4cc(F)ccc4[nH]3)cc12.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone?
The InChIKey is CJUIAVLIOOCWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c1-10-3-2-4-15-13(10)9-17(21-15)18(22)16-8-11-7-12(19)5-6-14(11)20-16/h2-9,20-21H,1H3.
What are the key properties of (5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone?
(5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone has a molecular weight of 292.31 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 11551046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).