1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole

C17H25N3O — CID 82335125

IUPAC1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole
SMILESCCCOc1ccc2c(c1)nc(C1CCNCC1)n2CC
InChIInChI=1S/C17H25N3O/c1-3-11-21-14-5-6-16-15(12-14)19-17(20(16)4-2)13-7-9-18-10-8-13/h5-6,12-13,18H,3-4,7-11H2,1-2H3
InChIKeyXOTDTEYLEVRTRQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.31
Rot. Bonds5

About 1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole

1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole (PubChem CID 82335125) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole.

Molecular Properties

Compound Name1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole
PubChem CID82335125
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole
SMILESCCCOc1ccc2c(c1)nc(C1CCNCC1)n2CC
InChIInChI=1S/C17H25N3O/c1-3-11-21-14-5-6-16-15(12-14)19-17(20(16)4-2)13-7-9-18-10-8-13/h5-6,12-13,18H,3-4,7-11H2,1-2H3
InChIKeyXOTDTEYLEVRTRQ-UHFFFAOYSA-N
XLogP3.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-piperidin-4-ylbenzimidazole
CID 20983587
5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743
2-piperidin-4-yl-5-propan-2-yloxy-1-prop-2-ynylbenzimidazole
CID 82335355
5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
CID 82332332
2-piperidin-4-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 84818178
1-ethyl-5-methoxy-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070534
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
2-cyclopropyl-1-hexyl-5-methoxybenzimidazole
CID 134083858
1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333752
2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040296
5-methyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333242

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole?
The IUPAC name of 1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole (CID 82335125) is 1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole.
What is the SMILES notation for 1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole?
The canonical SMILES for 1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole is CCCOc1ccc2c(c1)nc(C1CCNCC1)n2CC.
What is the InChIKey of 1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole?
The InChIKey is XOTDTEYLEVRTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-11-21-14-5-6-16-15(12-14)19-17(20(16)4-2)13-7-9-18-10-8-13/h5-6,12-13,18H,3-4,7-11H2,1-2H3.
What are the key properties of 1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole?
1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole has a molecular weight of 287.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole is sourced from PubChem (CID 82335125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).