2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide

C19H27N5O3 — CID 142635871

IUPAC2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide
SMILES[H]/N=C(\C)N1CCC(Oc2cc3[nH]c(C)nc3c(C)c2OC(C)C(N)=O)CC1
InChIInChI=1S/C19H27N5O3/c1-10-17-15(22-13(4)23-17)9-16(18(10)26-11(2)19(21)25)27-14-5-7-24(8-6-14)12(3)20/h9,11,14,20H,5-8H2,1-4H3,(H2,21,25)(H,22,23)/b20-12+
InChIKeyAHSVNTKIMURIAC-UDWIEESQSA-N
MW373.46 g/mol
LogP2.27
Rot. Bonds5

About 2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide

2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide (PubChem CID 142635871) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide.

Molecular Properties

Compound Name2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide
PubChem CID142635871
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide
SMILES[H]/N=C(\C)N1CCC(Oc2cc3[nH]c(C)nc3c(C)c2OC(C)C(N)=O)CC1
InChIInChI=1S/C19H27N5O3/c1-10-17-15(22-13(4)23-17)9-16(18(10)26-11(2)19(21)25)27-14-5-7-24(8-6-14)12(3)20/h9,11,14,20H,5-8H2,1-4H3,(H2,21,25)(H,22,23)/b20-12+
InChIKeyAHSVNTKIMURIAC-UDWIEESQSA-N
XLogP2.27
TPSA117.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide?
The IUPAC name of 2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide (CID 142635871) is 2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide.
What is the SMILES notation for 2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide?
The canonical SMILES for 2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide is [H]/N=C(\C)N1CCC(Oc2cc3[nH]c(C)nc3c(C)c2OC(C)C(N)=O)CC1.
What is the InChIKey of 2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide?
The InChIKey is AHSVNTKIMURIAC-UDWIEESQSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-10-17-15(22-13(4)23-17)9-16(18(10)26-11(2)19(21)25)27-14-5-7-24(8-6-14)12(3)20/h9,11,14,20H,5-8H2,1-4H3,(H2,21,25)(H,22,23)/b20-12+.
What are the key properties of 2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide?
2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide has a molecular weight of 373.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1-ethanimidoylpiperidin-4-yl)oxy-2,4-dimethyl-1H-benzimidazol-5-yl]oxy]propanamide is sourced from PubChem (CID 142635871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).