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

C21H22N4 — CID 12043258

IUPAC2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole
SMILESCN1CCC(c2c[nH]c3ccc(-c4nc5ccccc5[nH]4)cc23)CC1
InChIInChI=1S/C21H22N4/c1-25-10-8-14(9-11-25)17-13-22-18-7-6-15(12-16(17)18)21-23-19-4-2-3-5-20(19)24-21/h2-7,12-14,22H,8-11H2,1H3,(H,23,24)
InChIKeyJQDZPYIJXLVDLG-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.52
Rot. Bonds2

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

2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole (PubChem CID 12043258) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole
PubChem CID12043258
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole
SMILESCN1CCC(c2c[nH]c3ccc(-c4nc5ccccc5[nH]4)cc23)CC1
InChIInChI=1S/C21H22N4/c1-25-10-8-14(9-11-25)17-13-22-18-7-6-15(12-16(17)18)21-23-19-4-2-3-5-20(19)24-21/h2-7,12-14,22H,8-11H2,1H3,(H,23,24)
InChIKeyJQDZPYIJXLVDLG-UHFFFAOYSA-N
XLogP4.52
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole (CID 12043258) is 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole is CN1CCC(c2c[nH]c3ccc(-c4nc5ccccc5[nH]4)cc23)CC1.
What is the InChIKey of 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole?
The InChIKey is JQDZPYIJXLVDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-25-10-8-14(9-11-25)17-13-22-18-7-6-15(12-16(17)18)21-23-19-4-2-3-5-20(19)24-21/h2-7,12-14,22H,8-11H2,1H3,(H,23,24).
What are the key properties of 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole?
2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole has a molecular weight of 330.44 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 12043258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).