N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide

C26H27N3O3 — CID 126726261

IUPACN-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCCNC(C)=O)cc21
InChIInChI=1S/C26H27N3O3/c1-3-29-24-18-22(32-17-16-27-19(2)30)14-15-23(24)28-25(29)26(31,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18,31H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyZLMGXYQHIKLJQZ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.86
Rot. Bonds8

About N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide

N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide (PubChem CID 126726261) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide
PubChem CID126726261
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCCNC(C)=O)cc21
InChIInChI=1S/C26H27N3O3/c1-3-29-24-18-22(32-17-16-27-19(2)30)14-15-23(24)28-25(29)26(31,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18,31H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyZLMGXYQHIKLJQZ-UHFFFAOYSA-N
XLogP3.86
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide?
The IUPAC name of N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide (CID 126726261) is N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide.
What is the SMILES notation for N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide?
The canonical SMILES for N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(OCCNC(C)=O)cc21.
What is the InChIKey of N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide?
The InChIKey is ZLMGXYQHIKLJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-3-29-24-18-22(32-17-16-27-19(2)30)14-15-23(24)28-25(29)26(31,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18,31H,3,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide?
N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]oxyethyl]acetamide is sourced from PubChem (CID 126726261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).