6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole

C21H21FN4 — CID 12041811

IUPAC6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole
SMILESCN1CCC(c2c[nH]c3ccc(-c4nc5ccc(F)cc5[nH]4)cc23)CC1
InChIInChI=1S/C21H21FN4/c1-26-8-6-13(7-9-26)17-12-23-18-4-2-14(10-16(17)18)21-24-19-5-3-15(22)11-20(19)25-21/h2-5,10-13,23H,6-9H2,1H3,(H,24,25)
InChIKeyYVNWPOWNHCRKMP-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.66
Rot. Bonds2

About 6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole

6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole (PubChem CID 12041811) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is 6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole
PubChem CID12041811
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole
SMILESCN1CCC(c2c[nH]c3ccc(-c4nc5ccc(F)cc5[nH]4)cc23)CC1
InChIInChI=1S/C21H21FN4/c1-26-8-6-13(7-9-26)17-12-23-18-4-2-14(10-16(17)18)21-24-19-5-3-15(22)11-20(19)25-21/h2-5,10-13,23H,6-9H2,1H3,(H,24,25)
InChIKeyYVNWPOWNHCRKMP-UHFFFAOYSA-N
XLogP4.66
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole (CID 12041811) is 6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole is CN1CCC(c2c[nH]c3ccc(-c4nc5ccc(F)cc5[nH]4)cc23)CC1.
What is the InChIKey of 6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole?
The InChIKey is YVNWPOWNHCRKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4/c1-26-8-6-13(7-9-26)17-12-23-18-4-2-14(10-16(17)18)21-24-19-5-3-15(22)11-20(19)25-21/h2-5,10-13,23H,6-9H2,1H3,(H,24,25).
What are the key properties of 6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole?
6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole has a molecular weight of 348.43 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 12041811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).