4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide

C19H19N3O3 — CID 2678988

IUPAC4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H19N3O3/c1-13(23)14-8-10-15(11-9-14)25-12-4-7-18(24)22-19-20-16-5-2-3-6-17(16)21-19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H2,20,21,22,24)
InChIKeySMKDHAPHCNFJMR-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.56
Rot. Bonds7

About 4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide

4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide (PubChem CID 2678988) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
PubChem CID2678988
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H19N3O3/c1-13(23)14-8-10-15(11-9-14)25-12-4-7-18(24)22-19-20-16-5-2-3-6-17(16)21-19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H2,20,21,22,24)
InChIKeySMKDHAPHCNFJMR-UHFFFAOYSA-N
XLogP3.56
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
CID 2472289
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
4-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
CID 16582380
N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 63562593
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(4-fluorophenoxy)butanamide
CID 78843524
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 35808218
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
N-(1H-benzimidazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24539552
4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 35344400
N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18108001

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide (CID 2678988) is 4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide?
The InChIKey is SMKDHAPHCNFJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(23)14-8-10-15(11-9-14)25-12-4-7-18(24)22-19-20-16-5-2-3-6-17(16)21-19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H2,20,21,22,24).
What are the key properties of 4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide?
4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide has a molecular weight of 337.38 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide is sourced from PubChem (CID 2678988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).