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

C21H23N3O2 — CID 43817655

IUPAC2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole
SMILESc1ccc2c(c1)OCC(CN1CCC(c3nc4ccccc4[nH]3)CC1)O2
InChIInChI=1S/C21H23N3O2/c1-2-6-18-17(5-1)22-21(23-18)15-9-11-24(12-10-15)13-16-14-25-19-7-3-4-8-20(19)26-16/h1-8,15-16H,9-14H2,(H,22,23)
InChIKeyJBPGIOITWVOGBS-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.58
Rot. Bonds3

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

2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole (PubChem CID 43817655) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole
PubChem CID43817655
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole
SMILESc1ccc2c(c1)OCC(CN1CCC(c3nc4ccccc4[nH]3)CC1)O2
InChIInChI=1S/C21H23N3O2/c1-2-6-18-17(5-1)22-21(23-18)15-9-11-24(12-10-15)13-16-14-25-19-7-3-4-8-20(19)26-16/h1-8,15-16H,9-14H2,(H,22,23)
InChIKeyJBPGIOITWVOGBS-UHFFFAOYSA-N
XLogP3.58
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one
CID 131900207
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 51308055
2-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]-1,3-benzothiazole
CID 7436023
5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one;formic acid
CID 154906821
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole
CID 86275254
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-1H-benzimidazole
CID 686008

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole (CID 43817655) is 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole is c1ccc2c(c1)OCC(CN1CCC(c3nc4ccccc4[nH]3)CC1)O2.
What is the InChIKey of 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole?
The InChIKey is JBPGIOITWVOGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-6-18-17(5-1)22-21(23-18)15-9-11-24(12-10-15)13-16-14-25-19-7-3-4-8-20(19)26-16/h1-8,15-16H,9-14H2,(H,22,23).
What are the key properties of 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole?
2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole has a molecular weight of 349.43 g/mol, XLogP of 3.58, 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]-1H-benzimidazole is sourced from PubChem (CID 43817655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).