6-(2-piperidin-3-ylethyl)-1H-benzimidazole

C14H19N3 — CID 116925639

IUPAC6-(2-piperidin-3-ylethyl)-1H-benzimidazole
SMILESc1nc2ccc(CCC3CCCNC3)cc2[nH]1
InChIInChI=1S/C14H19N3/c1-2-12(9-15-7-1)4-3-11-5-6-13-14(8-11)17-10-16-13/h5-6,8,10,12,15H,1-4,7,9H2,(H,16,17)
InChIKeyVECWHYCTJVYKDZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.50
Rot. Bonds3

About 6-(2-piperidin-3-ylethyl)-1H-benzimidazole

6-(2-piperidin-3-ylethyl)-1H-benzimidazole (PubChem CID 116925639) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 6-(2-piperidin-3-ylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-piperidin-3-ylethyl)-1H-benzimidazole
PubChem CID116925639
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name6-(2-piperidin-3-ylethyl)-1H-benzimidazole
SMILESc1nc2ccc(CCC3CCCNC3)cc2[nH]1
InChIInChI=1S/C14H19N3/c1-2-12(9-15-7-1)4-3-11-5-6-13-14(8-11)17-10-16-13/h5-6,8,10,12,15H,1-4,7,9H2,(H,16,17)
InChIKeyVECWHYCTJVYKDZ-UHFFFAOYSA-N
XLogP2.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868529
4-(2-piperidin-3-ylethyl)pyridin-2-amine;dihydrochloride
CID 167995844
4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine
CID 115118875
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
6-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 116999243
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide
CID 115160286
3-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 84732247
6-pentyl-1H-benzimidazole
CID 58767911
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-3-ylethyl)-1H-benzimidazole?
The IUPAC name of 6-(2-piperidin-3-ylethyl)-1H-benzimidazole (CID 116925639) is 6-(2-piperidin-3-ylethyl)-1H-benzimidazole.
What is the SMILES notation for 6-(2-piperidin-3-ylethyl)-1H-benzimidazole?
The canonical SMILES for 6-(2-piperidin-3-ylethyl)-1H-benzimidazole is c1nc2ccc(CCC3CCCNC3)cc2[nH]1.
What is the InChIKey of 6-(2-piperidin-3-ylethyl)-1H-benzimidazole?
The InChIKey is VECWHYCTJVYKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-12(9-15-7-1)4-3-11-5-6-13-14(8-11)17-10-16-13/h5-6,8,10,12,15H,1-4,7,9H2,(H,16,17).
What are the key properties of 6-(2-piperidin-3-ylethyl)-1H-benzimidazole?
6-(2-piperidin-3-ylethyl)-1H-benzimidazole has a molecular weight of 229.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-3-ylethyl)-1H-benzimidazole is sourced from PubChem (CID 116925639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).