N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide

C18H19N3O3 — CID 18124163

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC(C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19N3O3/c1-12(18-20-15-5-3-4-6-16(15)21-18)19-17(22)11-24-14-9-7-13(23-2)8-10-14/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRMTRNWCDKUAHCL-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.83
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 18124163) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID18124163
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC(C)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H19N3O3/c1-12(18-20-15-5-3-4-6-16(15)21-18)19-17(22)11-24-14-9-7-13(23-2)8-10-14/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRMTRNWCDKUAHCL-UHFFFAOYSA-N
XLogP2.83
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 43889769
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 73419908
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 18116312
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 18116436
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 73419906
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 78806700
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 60592703
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 60620296

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide (CID 18124163) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NC(C)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is RMTRNWCDKUAHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(18-20-15-5-3-4-6-16(15)21-18)19-17(22)11-24-14-9-7-13(23-2)8-10-14/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 18124163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).