6-ethoxy-2-piperidin-3-yl-1H-benzimidazole

C14H19N3O — CID 82331880

IUPAC6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
SMILESCCOc1ccc2nc(C3CCCNC3)[nH]c2c1
InChIInChI=1S/C14H19N3O/c1-2-18-11-5-6-12-13(8-11)17-14(16-12)10-4-3-7-15-9-10/h5-6,8,10,15H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyFIGRIUTVHOIBNU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.43
Rot. Bonds3

About 6-ethoxy-2-piperidin-3-yl-1H-benzimidazole

6-ethoxy-2-piperidin-3-yl-1H-benzimidazole (PubChem CID 82331880) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-ethoxy-2-piperidin-3-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
PubChem CID82331880
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
SMILESCCOc1ccc2nc(C3CCCNC3)[nH]c2c1
InChIInChI=1S/C14H19N3O/c1-2-18-11-5-6-12-13(8-11)17-14(16-12)10-4-3-7-15-9-10/h5-6,8,10,15H,2-4,7,9H2,1H3,(H,16,17)
InChIKeyFIGRIUTVHOIBNU-UHFFFAOYSA-N
XLogP2.43
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816442
2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide
CID 84816446
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile
CID 84816437
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanethioamide
CID 84816445
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole
CID 83949259
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
CID 117391858
2-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine;hydrochloride
CID 11725026
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
CID 130454688

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-piperidin-3-yl-1H-benzimidazole?
The IUPAC name of 6-ethoxy-2-piperidin-3-yl-1H-benzimidazole (CID 82331880) is 6-ethoxy-2-piperidin-3-yl-1H-benzimidazole.
What is the SMILES notation for 6-ethoxy-2-piperidin-3-yl-1H-benzimidazole?
The canonical SMILES for 6-ethoxy-2-piperidin-3-yl-1H-benzimidazole is CCOc1ccc2nc(C3CCCNC3)[nH]c2c1.
What is the InChIKey of 6-ethoxy-2-piperidin-3-yl-1H-benzimidazole?
The InChIKey is FIGRIUTVHOIBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-18-11-5-6-12-13(8-11)17-14(16-12)10-4-3-7-15-9-10/h5-6,8,10,15H,2-4,7,9H2,1H3,(H,16,17).
What are the key properties of 6-ethoxy-2-piperidin-3-yl-1H-benzimidazole?
6-ethoxy-2-piperidin-3-yl-1H-benzimidazole has a molecular weight of 245.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-piperidin-3-yl-1H-benzimidazole is sourced from PubChem (CID 82331880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).