2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole

C17H18BrN3O — CID 142413744

IUPAC2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole
SMILESCN1CCC(Oc2cccc3nc4ccc(Br)cn4c23)CC1
InChIInChI=1S/C17H18BrN3O/c1-20-9-7-13(8-10-20)22-15-4-2-3-14-17(15)21-11-12(18)5-6-16(21)19-14/h2-6,11,13H,7-10H2,1H3
InChIKeyDDHJTJIKGXYFCN-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.72
Rot. Bonds2

About 2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole

2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole (PubChem CID 142413744) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is 2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole
PubChem CID142413744
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole
SMILESCN1CCC(Oc2cccc3nc4ccc(Br)cn4c23)CC1
InChIInChI=1S/C17H18BrN3O/c1-20-9-7-13(8-10-20)22-15-4-2-3-14-17(15)21-11-12(18)5-6-16(21)19-14/h2-6,11,13H,7-10H2,1H3
InChIKeyDDHJTJIKGXYFCN-UHFFFAOYSA-N
XLogP3.72
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole?
The IUPAC name of 2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole (CID 142413744) is 2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole.
What is the SMILES notation for 2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole?
The canonical SMILES for 2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole is CN1CCC(Oc2cccc3nc4ccc(Br)cn4c23)CC1.
What is the InChIKey of 2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole?
The InChIKey is DDHJTJIKGXYFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c1-20-9-7-13(8-10-20)22-15-4-2-3-14-17(15)21-11-12(18)5-6-16(21)19-14/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole?
2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole has a molecular weight of 360.26 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-(1-methylpiperidin-4-yl)oxypyrido[1,2-a]benzimidazole is sourced from PubChem (CID 142413744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).