2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole

C18H21N3OS — CID 66835877

IUPAC2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole
SMILESCN1CCC(OC(c2nc3ccccc3[nH]2)c2cccs2)CC1
InChIInChI=1S/C18H21N3OS/c1-21-10-8-13(9-11-21)22-17(16-7-4-12-23-16)18-19-14-5-2-3-6-15(14)20-18/h2-7,12-13,17H,8-11H2,1H3,(H,19,20)
InChIKeyWLLJCHGIPDMWPP-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.82
Rot. Bonds4

About 2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole

2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole (PubChem CID 66835877) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole
PubChem CID66835877
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole
SMILESCN1CCC(OC(c2nc3ccccc3[nH]2)c2cccs2)CC1
InChIInChI=1S/C18H21N3OS/c1-21-10-8-13(9-11-21)22-17(16-7-4-12-23-16)18-19-14-5-2-3-6-15(14)20-18/h2-7,12-13,17H,8-11H2,1H3,(H,19,20)
InChIKeyWLLJCHGIPDMWPP-UHFFFAOYSA-N
XLogP3.82
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-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-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512981
2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 56948840
2-[(2-fluoro-3-iodophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512806
2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 66836132
2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512834
2-[(S)-1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]-6-fluorophenol;hydrate
CID 146471919
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
3-[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenoxy]propan-1-amine
CID 67512767
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

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole (CID 66835877) is 2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole is CN1CCC(OC(c2nc3ccccc3[nH]2)c2cccs2)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole?
The InChIKey is WLLJCHGIPDMWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-21-10-8-13(9-11-21)22-17(16-7-4-12-23-16)18-19-14-5-2-3-6-15(14)20-18/h2-7,12-13,17H,8-11H2,1H3,(H,19,20).
What are the key properties of 2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole?
2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole has a molecular weight of 327.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole is sourced from PubChem (CID 66835877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).