N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide

C23H29N3O3 — CID 16969251

IUPACN-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
SMILESCCc1ccc(OCCCn2c(C(C)NC(=O)COC)nc3ccccc32)cc1
InChIInChI=1S/C23H29N3O3/c1-4-18-10-12-19(13-11-18)29-15-7-14-26-21-9-6-5-8-20(21)25-23(26)17(2)24-22(27)16-28-3/h5-6,8-13,17H,4,7,14-16H2,1-3H3,(H,24,27)
InChIKeyGNUZCNUGVKKVCI-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.89
Rot. Bonds10

About N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide

N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide (PubChem CID 16969251) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
PubChem CID16969251
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
SMILESCCc1ccc(OCCCn2c(C(C)NC(=O)COC)nc3ccccc32)cc1
InChIInChI=1S/C23H29N3O3/c1-4-18-10-12-19(13-11-18)29-15-7-14-26-21-9-6-5-8-20(21)25-23(26)17(2)24-22(27)16-28-3/h5-6,8-13,17H,4,7,14-16H2,1-3H3,(H,24,27)
InChIKeyGNUZCNUGVKKVCI-UHFFFAOYSA-N
XLogP3.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971773
2-(4-chlorophenoxy)-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971935
N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009738
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260
2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969198
2-(4-chlorophenyl)-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973111
3-chloro-N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010504
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972671
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968787
N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971807
N-[1-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967125

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide (CID 16969251) is N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide is CCc1ccc(OCCCn2c(C(C)NC(=O)COC)nc3ccccc32)cc1.
What is the InChIKey of N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?
The InChIKey is GNUZCNUGVKKVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-18-10-12-19(13-11-18)29-15-7-14-26-21-9-6-5-8-20(21)25-23(26)17(2)24-22(27)16-28-3/h5-6,8-13,17H,4,7,14-16H2,1-3H3,(H,24,27).
What are the key properties of N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?
N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide has a molecular weight of 395.50 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 16969251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).