5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one

C16H15N3O3 — CID 110724068

IUPAC5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one
SMILESCOc1cccc(CC(=O)n2c(=O)[nH]c3ccc(N)cc32)c1
InChIInChI=1S/C16H15N3O3/c1-22-12-4-2-3-10(7-12)8-15(20)19-14-9-11(17)5-6-13(14)18-16(19)21/h2-7,9H,8,17H2,1H3,(H,18,21)
InChIKeyKSXIJDGEIWURRA-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.80
Rot. Bonds3

About 5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one

5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one (PubChem CID 110724068) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one
PubChem CID110724068
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one
SMILESCOc1cccc(CC(=O)n2c(=O)[nH]c3ccc(N)cc32)c1
InChIInChI=1S/C16H15N3O3/c1-22-12-4-2-3-10(7-12)8-15(20)19-14-9-11(17)5-6-13(14)18-16(19)21/h2-7,9H,8,17H2,1H3,(H,18,21)
InChIKeyKSXIJDGEIWURRA-UHFFFAOYSA-N
XLogP1.80
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-[2-(4-ethoxyphenyl)acetyl]-1H-benzimidazol-2-one
CID 110743822
6-amino-3-[2-(4-fluorophenyl)acetyl]-1H-benzimidazol-2-one
CID 110723961
formic acid;3-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 171678507
1-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 120626340
3-[1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 178098619
5-amino-3-[(3S)-1-[2-[3-(trifluoromethoxy)phenyl]acetyl]piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098716
6-amino-3-[2-(2-chlorophenyl)acetyl]-1H-benzimidazol-2-one
CID 110724060
4-amino-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-one
CID 112534714
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
ethyl 2-[2-(3-methoxyphenyl)ethanethioyl]sulfanylacetate
CID 14294109
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
5-amino-1-[(3-methoxyphenyl)methyl]-2H-indazol-3-one
CID 68729523

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one (CID 110724068) is 5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one is COc1cccc(CC(=O)n2c(=O)[nH]c3ccc(N)cc32)c1.
What is the InChIKey of 5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one?
The InChIKey is KSXIJDGEIWURRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-12-4-2-3-10(7-12)8-15(20)19-14-9-11(17)5-6-13(14)18-16(19)21/h2-7,9H,8,17H2,1H3,(H,18,21).
What are the key properties of 5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one?
5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one has a molecular weight of 297.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 110724068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).