1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine

C18H26N4O — CID 142635886

IUPAC1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(Oc2ccc3[nH]c(CCC)nc3c2C)CC1
InChIInChI=1S/C18H26N4O/c1-4-5-17-20-15-6-7-16(12(2)18(15)21-17)23-14-8-10-22(11-9-14)13(3)19/h6-7,14,19H,4-5,8-11H2,1-3H3,(H,20,21)/b19-13+
InChIKeyZQNJXSVGEBWITB-CPNJWEJPSA-N
MW314.43 g/mol
LogP3.66
Rot. Bonds4

About 1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine

1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine (PubChem CID 142635886) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine
PubChem CID142635886
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(Oc2ccc3[nH]c(CCC)nc3c2C)CC1
InChIInChI=1S/C18H26N4O/c1-4-5-17-20-15-6-7-16(12(2)18(15)21-17)23-14-8-10-22(11-9-14)13(3)19/h6-7,14,19H,4-5,8-11H2,1-3H3,(H,20,21)/b19-13+
InChIKeyZQNJXSVGEBWITB-CPNJWEJPSA-N
XLogP3.66
TPSA65.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine?
The IUPAC name of 1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine (CID 142635886) is 1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine.
What is the SMILES notation for 1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine?
The canonical SMILES for 1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine is [H]/N=C(\C)N1CCC(Oc2ccc3[nH]c(CCC)nc3c2C)CC1.
What is the InChIKey of 1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine?
The InChIKey is ZQNJXSVGEBWITB-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-5-17-20-15-6-7-16(12(2)18(15)21-17)23-14-8-10-22(11-9-14)13(3)19/h6-7,14,19H,4-5,8-11H2,1-3H3,(H,20,21)/b19-13+.
What are the key properties of 1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine?
1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine has a molecular weight of 314.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methyl-2-propyl-1H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine is sourced from PubChem (CID 142635886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).