2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide

C15H14N4O2 — CID 63565380

IUPAC2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide
SMILESNc1cccc(OCC(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H14N4O2/c16-10-4-3-5-11(8-10)21-9-14(20)19-15-17-12-6-1-2-7-13(12)18-15/h1-8H,9,16H2,(H2,17,18,19,20)
InChIKeyLRQJDFKYOKKOJH-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.16
Rot. Bonds4

About 2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide

2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide (PubChem CID 63565380) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide
PubChem CID63565380
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide
SMILESNc1cccc(OCC(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H14N4O2/c16-10-4-3-5-11(8-10)21-9-14(20)19-15-17-12-6-1-2-7-13(12)18-15/h1-8H,9,16H2,(H2,17,18,19,20)
InChIKeyLRQJDFKYOKKOJH-UHFFFAOYSA-N
XLogP2.16
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 60629393
3-amino-N-(1H-benzimidazol-2-yl)benzamide
CID 62060005
N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
CID 2472289
N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 2553894
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide
CID 18283756
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-ethylphenoxy)acetamide
CID 2301170
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
CID 53011843
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
CID 53199724
2-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide
CID 61035585
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665
2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 61034938
2-(3-aminophenoxy)-N-(5-fluoro-2-pyridinyl)acetamide
CID 65481050

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide (CID 63565380) is 2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide is Nc1cccc(OCC(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide?
The InChIKey is LRQJDFKYOKKOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-10-4-3-5-11(8-10)21-9-14(20)19-15-17-12-6-1-2-7-13(12)18-15/h1-8H,9,16H2,(H2,17,18,19,20).
What are the key properties of 2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide?
2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide has a molecular weight of 282.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide is sourced from PubChem (CID 63565380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).