1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole

C17H19N3S — CID 82149676

IUPAC1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole
SMILESc1csc(-c2nc3ccccc3n2CC2CCNCC2)c1
InChIInChI=1S/C17H19N3S/c1-2-5-15-14(4-1)19-17(16-6-3-11-21-16)20(15)12-13-7-9-18-10-8-13/h1-6,11,13,18H,7-10,12H2
InChIKeyJJDOJCKQVOXHOA-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.76
Rot. Bonds3

About 1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole

1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole (PubChem CID 82149676) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole
PubChem CID82149676
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole
SMILESc1csc(-c2nc3ccccc3n2CC2CCNCC2)c1
InChIInChI=1S/C17H19N3S/c1-2-5-15-14(4-1)19-17(16-6-3-11-21-16)20(15)12-13-7-9-18-10-8-13/h1-6,11,13,18H,7-10,12H2
InChIKeyJJDOJCKQVOXHOA-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-(piperidin-4-ylmethyl)benzimidazole
CID 84815298
1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 82149668
2-methyl-5-[1-(piperidin-4-ylmethyl)benzimidazol-2-yl]aniline
CID 94756262
1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole
CID 830206
1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
CID 17000270
1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole
CID 4305398
1-piperidin-1-yl-2-(2-thiophen-2-ylbenzimidazol-1-yl)ethanone
CID 17000352
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole
CID 62389696
2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117164249
1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 4227677
1-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000268

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole (CID 82149676) is 1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole is c1csc(-c2nc3ccccc3n2CC2CCNCC2)c1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole?
The InChIKey is JJDOJCKQVOXHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-2-5-15-14(4-1)19-17(16-6-3-11-21-16)20(15)12-13-7-9-18-10-8-13/h1-6,11,13,18H,7-10,12H2.
What are the key properties of 1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole?
1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole has a molecular weight of 297.43 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 82149676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).