N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide

C18H19N3O2 — CID 34334460

IUPACN-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nn2cnc3ccccc32)cc1
InChIInChI=1S/C18H19N3O2/c1-13(2)14-7-9-15(10-8-14)23-11-18(22)20-21-12-19-16-5-3-4-6-17(16)21/h3-10,12-13H,11H2,1-2H3,(H,20,22)
InChIKeyRKNIJKJBQBGPJB-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.31
Rot. Bonds5

About N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide

N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 34334460) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID34334460
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nn2cnc3ccccc32)cc1
InChIInChI=1S/C18H19N3O2/c1-13(2)14-7-9-15(10-8-14)23-11-18(22)20-21-12-19-16-5-3-4-6-17(16)21/h3-10,12-13H,11H2,1-2H3,(H,20,22)
InChIKeyRKNIJKJBQBGPJB-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
3-acetamido-N-(benzimidazol-1-yl)-3-(4-chlorophenyl)propanamide
CID 42931709
N-(benzimidazol-1-yl)acetamide
CID 2318657
N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide
CID 34327055
benzimidazol-1-ylcarbamic acid
CID 21218422
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 119113417
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide
CID 8823029
2-phenoxy-N-purin-9-ylacetamide
CID 57240515
(2S)-N-(benzimidazol-1-yl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 95636298
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide (CID 34334460) is N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nn2cnc3ccccc32)cc1.
What is the InChIKey of N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is RKNIJKJBQBGPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(2)14-7-9-15(10-8-14)23-11-18(22)20-21-12-19-16-5-3-4-6-17(16)21/h3-10,12-13H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 34334460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).