N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

C27H29N3O3 — CID 16971773

IUPACN-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESCCc1ccc(OCCn2c(C(C)NC(=O)COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C27H29N3O3/c1-3-21-13-15-23(16-14-21)32-18-17-30-25-12-8-7-11-24(25)29-27(30)20(2)28-26(31)19-33-22-9-5-4-6-10-22/h4-16,20H,3,17-19H2,1-2H3,(H,28,31)
InChIKeyNRKPIDYASNTMMH-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.93
Rot. Bonds10

About N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (PubChem CID 16971773) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
PubChem CID16971773
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESCCc1ccc(OCCn2c(C(C)NC(=O)COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C27H29N3O3/c1-3-21-13-15-23(16-14-21)32-18-17-30-25-12-8-7-11-24(25)29-27(30)20(2)28-26(31)19-33-22-9-5-4-6-10-22/h4-16,20H,3,17-19H2,1-2H3,(H,28,31)
InChIKeyNRKPIDYASNTMMH-UHFFFAOYSA-N
XLogP4.93
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971935
N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969251
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
N-[1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971767
N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971807
N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971721
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971779
4-bromo-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009369
2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16971996
1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995352
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971716
2-phenoxy-N-[1-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971762

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (CID 16971773) is N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is CCc1ccc(OCCn2c(C(C)NC(=O)COc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is NRKPIDYASNTMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-3-21-13-15-23(16-14-21)32-18-17-30-25-12-8-7-11-24(25)29-27(30)20(2)28-26(31)19-33-22-9-5-4-6-10-22/h4-16,20H,3,17-19H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 443.55 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 16971773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).