2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole

C16H23N3 — CID 82336437

IUPAC2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole
SMILESCC1CC(C)CN(C(C)c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H23N3/c1-11-8-12(2)10-19(9-11)13(3)16-17-14-6-4-5-7-15(14)18-16/h4-7,11-13H,8-10H2,1-3H3,(H,17,18)
InChIKeyLABKPTKHWCJZCV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.60
Rot. Bonds2

About 2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole

2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole (PubChem CID 82336437) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole
PubChem CID82336437
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole
SMILESCC1CC(C)CN(C(C)c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H23N3/c1-11-8-12(2)10-19(9-11)13(3)16-17-14-6-4-5-7-15(14)18-16/h4-7,11-13H,8-10H2,1-3H3,(H,17,18)
InChIKeyLABKPTKHWCJZCV-UHFFFAOYSA-N
XLogP3.60
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-1H-benzimidazole
CID 22121
4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione
CID 107409781
1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione
CID 60975490
1-[1-(1H-benzimidazol-2-yl)ethyl]azepane-2,7-dione
CID 60975345
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 135612866
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 60620449
2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole
CID 18616871
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylpyrrole-2,5-dione
CID 60975491

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole (CID 82336437) is 2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole is CC1CC(C)CN(C(C)c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole?
The InChIKey is LABKPTKHWCJZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-8-12(2)10-19(9-11)13(3)16-17-14-6-4-5-7-15(14)18-16/h4-7,11-13H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole?
2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole has a molecular weight of 257.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 82336437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).