1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine

C17H24N4O — CID 142635933

IUPAC1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(Oc2cc(C)c3nc(CC)[nH]c3c2)CC1
InChIInChI=1S/C17H24N4O/c1-4-16-19-15-10-14(9-11(2)17(15)20-16)22-13-5-7-21(8-6-13)12(3)18/h9-10,13,18H,4-8H2,1-3H3,(H,19,20)/b18-12+
InChIKeyOYMNVBOFPHYKHL-LDADJPATSA-N
MW300.41 g/mol
LogP3.27
Rot. Bonds3

About 1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine

1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine (PubChem CID 142635933) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine
PubChem CID142635933
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCC(Oc2cc(C)c3nc(CC)[nH]c3c2)CC1
InChIInChI=1S/C17H24N4O/c1-4-16-19-15-10-14(9-11(2)17(15)20-16)22-13-5-7-21(8-6-13)12(3)18/h9-10,13,18H,4-8H2,1-3H3,(H,19,20)/b18-12+
InChIKeyOYMNVBOFPHYKHL-LDADJPATSA-N
XLogP3.27
TPSA65.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.27
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-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine?
The IUPAC name of 1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine (CID 142635933) is 1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine.
What is the SMILES notation for 1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine?
The canonical SMILES for 1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine is [H]/N=C(\C)N1CCC(Oc2cc(C)c3nc(CC)[nH]c3c2)CC1.
What is the InChIKey of 1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine?
The InChIKey is OYMNVBOFPHYKHL-LDADJPATSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-16-19-15-10-14(9-11(2)17(15)20-16)22-13-5-7-21(8-6-13)12(3)18/h9-10,13,18H,4-8H2,1-3H3,(H,19,20)/b18-12+.
What are the key properties of 1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine?
1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine has a molecular weight of 300.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxy]piperidin-1-yl]ethanimine is sourced from PubChem (CID 142635933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).