N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide

C18H19N3O2 — CID 807389

IUPACN-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n1CCOc1ccccc1C
InChIInChI=1S/C18H19N3O2/c1-13-7-3-6-10-17(13)23-12-11-21-16-9-5-4-8-15(16)20-18(21)19-14(2)22/h3-10H,11-12H2,1-2H3,(H,19,20,22)
InChIKeyWVGFWYOMNWNVRU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.38
Rot. Bonds5

About N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide

N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide (PubChem CID 807389) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide
PubChem CID807389
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n1CCOc1ccccc1C
InChIInChI=1S/C18H19N3O2/c1-13-7-3-6-10-17(13)23-12-11-21-16-9-5-4-8-15(16)20-18(21)19-14(2)22/h3-10H,11-12H2,1-2H3,(H,19,20,22)
InChIKeyWVGFWYOMNWNVRU-UHFFFAOYSA-N
XLogP3.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962325
1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996113
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981657
N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966547
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
2-ethyl-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974742
2-methoxy-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976230
N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978268
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968624
N-[1-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-2-yl]acetamide
CID 5085536
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide?
The IUPAC name of N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide (CID 807389) is N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1C.
What is the InChIKey of N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide?
The InChIKey is WVGFWYOMNWNVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-7-3-6-10-17(13)23-12-11-21-16-9-5-4-8-15(16)20-18(21)19-14(2)22/h3-10H,11-12H2,1-2H3,(H,19,20,22).
What are the key properties of N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide?
N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 807389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).