2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide

C22H27N3O3 — CID 16972157

IUPAC2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCOCCn1c(C(C)NC(=O)COc2cc(C)ccc2C)nc2ccccc21
InChIInChI=1S/C22H27N3O3/c1-15-9-10-16(2)20(13-15)28-14-21(26)23-17(3)22-24-18-7-5-6-8-19(18)25(22)11-12-27-4/h5-10,13,17H,11-12,14H2,1-4H3,(H,23,26)
InChIKeyJWRVYYMWWZDSKA-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.56
Rot. Bonds8

About 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide

2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16972157) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID16972157
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCOCCn1c(C(C)NC(=O)COc2cc(C)ccc2C)nc2ccccc21
InChIInChI=1S/C22H27N3O3/c1-15-9-10-16(2)20(13-15)28-14-21(26)23-17(3)22-24-18-7-5-6-8-19(18)25(22)11-12-27-4/h5-10,13,17H,11-12,14H2,1-4H3,(H,23,26)
InChIKeyJWRVYYMWWZDSKA-UHFFFAOYSA-N
XLogP3.56
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972103
N-[1-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16972093
2-(2,5-dimethylphenoxy)-N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972135
N-[1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16972127
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16972075
N-[1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966712
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969258
N-[1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009823
N-[1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970180
N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009723
N-[(1S)-1-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100830

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide (CID 16972157) is 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide is COCCn1c(C(C)NC(=O)COc2cc(C)ccc2C)nc2ccccc21.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is JWRVYYMWWZDSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-9-10-16(2)20(13-15)28-14-21(26)23-17(3)22-24-18-7-5-6-8-19(18)25(22)11-12-27-4/h5-10,13,17H,11-12,14H2,1-4H3,(H,23,26).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16972157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).