N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide

C25H31N3O4 — CID 16981827

IUPACN-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
SMILESCCOc1ccccc1OCCn1c(CCCNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C25H31N3O4/c1-2-30-21-11-5-6-12-22(21)32-18-16-28-20-10-4-3-9-19(20)27-24(28)14-7-15-26-25(29)23-13-8-17-31-23/h3-6,9-12,23H,2,7-8,13-18H2,1H3,(H,26,29)
InChIKeyLKEQVKZJQZDXPH-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.74
Rot. Bonds11

About N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide

N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide (PubChem CID 16981827) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
PubChem CID16981827
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
SMILESCCOc1ccccc1OCCn1c(CCCNC(=O)C2CCCO2)nc2ccccc21
InChIInChI=1S/C25H31N3O4/c1-2-30-21-11-5-6-12-22(21)32-18-16-28-20-10-4-3-9-19(20)27-24(28)14-7-15-26-25(29)23-13-8-17-31-23/h3-6,9-12,23H,2,7-8,13-18H2,1H3,(H,26,29)
InChIKeyLKEQVKZJQZDXPH-UHFFFAOYSA-N
XLogP3.74
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981845
N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981874
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981841
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981549
N-[3-(1-undecylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981785
N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994501
N-[2-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975348
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981893
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975077
N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 16975354
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide (CID 16981827) is N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide is CCOc1ccccc1OCCn1c(CCCNC(=O)C2CCCO2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide?
The InChIKey is LKEQVKZJQZDXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-2-30-21-11-5-6-12-22(21)32-18-16-28-20-10-4-3-9-19(20)27-24(28)14-7-15-26-25(29)23-13-8-17-31-23/h3-6,9-12,23H,2,7-8,13-18H2,1H3,(H,26,29).
What are the key properties of N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide?
N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide is sourced from PubChem (CID 16981827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).