N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide

C24H31N3O3 — CID 16969257

IUPACN-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1CCCCOc1cccc(C)c1C
InChIInChI=1S/C24H31N3O3/c1-17-10-9-13-22(18(17)2)30-15-8-7-14-27-21-12-6-5-11-20(21)26-24(27)19(3)25-23(28)16-29-4/h5-6,9-13,19H,7-8,14-16H2,1-4H3,(H,25,28)
InChIKeyNNGIEOPGEMJGKS-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.34
Rot. Bonds10

About N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide

N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide (PubChem CID 16969257) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
PubChem CID16969257
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1CCCCOc1cccc(C)c1C
InChIInChI=1S/C24H31N3O3/c1-17-10-9-13-22(18(17)2)30-15-8-7-14-27-21-12-6-5-11-20(21)26-24(27)19(3)25-23(28)16-29-4/h5-6,9-13,19H,7-8,14-16H2,1-4H3,(H,25,28)
InChIKeyNNGIEOPGEMJGKS-UHFFFAOYSA-N
XLogP4.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.34
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

2-(2,5-dimethylphenoxy)-N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972135
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969258
N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971629
2-(3,4-dimethoxyphenyl)-N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972903
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968624
2-methoxy-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969225
4-bromo-N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009407
(Z)-N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970339
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972578
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969212
N-[1-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16971603
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide (CID 16969257) is N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide is COCC(=O)NC(C)c1nc2ccccc2n1CCCCOc1cccc(C)c1C.
What is the InChIKey of N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?
The InChIKey is NNGIEOPGEMJGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17-10-9-13-22(18(17)2)30-15-8-7-14-27-21-12-6-5-11-20(21)26-24(27)19(3)25-23(28)16-29-4/h5-6,9-13,19H,7-8,14-16H2,1-4H3,(H,25,28).
What are the key properties of N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide?
N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide has a molecular weight of 409.53 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 16969257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).