2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole

C17H19N3OS — CID 66836065

IUPAC2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(C(OC3CCNCC3)c3ccsc3)nc2c1
InChIInChI=1S/C17H19N3OS/c1-2-4-15-14(3-1)19-17(20-15)16(12-7-10-22-11-12)21-13-5-8-18-9-6-13/h1-4,7,10-11,13,16,18H,5-6,8-9H2,(H,19,20)
InChIKeyZLROJGIAZBBSJR-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.48
Rot. Bonds4

About 2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole

2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole (PubChem CID 66836065) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole
PubChem CID66836065
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(C(OC3CCNCC3)c3ccsc3)nc2c1
InChIInChI=1S/C17H19N3OS/c1-2-4-15-14(3-1)19-17(20-15)16(12-7-10-22-11-12)21-13-5-8-18-9-6-13/h1-4,7,10-11,13,16,18H,5-6,8-9H2,(H,19,20)
InChIKeyZLROJGIAZBBSJR-UHFFFAOYSA-N
XLogP3.48
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol
CID 66836297
1H-benzimidazol-2-yl(piperidin-4-yl)methanamine
CID 69063940
2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole
CID 66835877
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-[(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
4-[(4-methylphenyl)-phenylmethoxy]piperidine
CID 10265745
2-[[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methoxy]-2-oxoacetic acid
CID 66836153
3-[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenoxy]propan-1-amine
CID 67512767
2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512981
2-(1-piperidin-4-yloxyethyl)-3H-imidazo[4,5-c]quinoline
CID 123943298

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole (CID 66836065) is 2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole is c1ccc2[nH]c(C(OC3CCNCC3)c3ccsc3)nc2c1.
What is the InChIKey of 2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole?
The InChIKey is ZLROJGIAZBBSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-2-4-15-14(3-1)19-17(20-15)16(12-7-10-22-11-12)21-13-5-8-18-9-6-13/h1-4,7,10-11,13,16,18H,5-6,8-9H2,(H,19,20).
What are the key properties of 2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole?
2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole has a molecular weight of 313.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 66836065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).