2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole

C23H27N3O2 — CID 647134

IUPAC2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(C3CCN(CC4COc5ccccc5O4)CC3)[nH]c2cc1C
InChIInChI=1S/C23H27N3O2/c1-15-11-19-20(12-16(15)2)25-23(24-19)17-7-9-26(10-8-17)13-18-14-27-21-5-3-4-6-22(21)28-18/h3-6,11-12,17-18H,7-10,13-14H2,1-2H3,(H,24,25)
InChIKeyAFVPSEWUXQUXPL-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.20
Rot. Bonds3

About 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole

2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole (PubChem CID 647134) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole
PubChem CID647134
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(C3CCN(CC4COc5ccccc5O4)CC3)[nH]c2cc1C
InChIInChI=1S/C23H27N3O2/c1-15-11-19-20(12-16(15)2)25-23(24-19)17-7-9-26(10-8-17)13-18-14-27-21-5-3-4-6-22(21)28-18/h3-6,11-12,17-18H,7-10,13-14H2,1-2H3,(H,24,25)
InChIKeyAFVPSEWUXQUXPL-UHFFFAOYSA-N
XLogP4.20
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole (CID 647134) is 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole is Cc1cc2nc(C3CCN(CC4COc5ccccc5O4)CC3)[nH]c2cc1C.
What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole?
The InChIKey is AFVPSEWUXQUXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-11-19-20(12-16(15)2)25-23(24-19)17-7-9-26(10-8-17)13-18-14-27-21-5-3-4-6-22(21)28-18/h3-6,11-12,17-18H,7-10,13-14H2,1-2H3,(H,24,25).
What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole?
2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole has a molecular weight of 377.49 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 647134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).