2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole

C21H23N3O3 — CID 67512834

IUPAC2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
SMILESCN1CCC(OC(c2ccc3c(c2)OCO3)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H23N3O3/c1-24-10-8-15(9-11-24)27-20(14-6-7-18-19(12-14)26-13-25-18)21-22-16-4-2-3-5-17(16)23-21/h2-7,12,15,20H,8-11,13H2,1H3,(H,22,23)
InChIKeyANAZTPHYSZGJOO-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.49
Rot. Bonds4

About 2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole

2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole (PubChem CID 67512834) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
PubChem CID67512834
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
SMILESCN1CCC(OC(c2ccc3c(c2)OCO3)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H23N3O3/c1-24-10-8-15(9-11-24)27-20(14-6-7-18-19(12-14)26-13-25-18)21-22-16-4-2-3-5-17(16)23-21/h2-7,12,15,20H,8-11,13H2,1H3,(H,22,23)
InChIKeyANAZTPHYSZGJOO-UHFFFAOYSA-N
XLogP3.49
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-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

4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol
CID 66836297
2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 66836132
2-[(3-ethylsulfanyl-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512953
2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole
CID 56948240
2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole
CID 66835877
3-[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenoxy]propan-1-amine
CID 67512767
2-[3-[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]propyl]guanidine
CID 67512169
2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512981
5-[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]sulfanylpentan-1-amine
CID 66836172
2-[[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methoxy]-2-oxoacetic acid
CID 66836153
2-[3-[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]prop-2-enyl]guanidine
CID 66835847
2-[3,4-dihydro-2H-chromen-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole;2-[(2-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1,3-benzoxazole
CID 158169985

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
The IUPAC name of 2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole (CID 67512834) is 2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
The canonical SMILES for 2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole is CN1CCC(OC(c2ccc3c(c2)OCO3)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
The InChIKey is ANAZTPHYSZGJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-24-10-8-15(9-11-24)27-20(14-6-7-18-19(12-14)26-13-25-18)21-22-16-4-2-3-5-17(16)23-21/h2-7,12,15,20H,8-11,13H2,1H3,(H,22,23).
What are the key properties of 2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole has a molecular weight of 365.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole is sourced from PubChem (CID 67512834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).