2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone

C16H15N3O2 — CID 84750974

IUPAC2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone
SMILESCc1nc2ccccc2n1C(=O)COc1ccc(N)cc1
InChIInChI=1S/C16H15N3O2/c1-11-18-14-4-2-3-5-15(14)19(11)16(20)10-21-13-8-6-12(17)7-9-13/h2-9H,10,17H2,1H3
InChIKeyNMOQMZOTZQKKOK-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.65
Rot. Bonds3

About 2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone

2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone (PubChem CID 84750974) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone
PubChem CID84750974
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone
SMILESCc1nc2ccccc2n1C(=O)COc1ccc(N)cc1
InChIInChI=1S/C16H15N3O2/c1-11-18-14-4-2-3-5-15(14)19(11)16(20)10-21-13-8-6-12(17)7-9-13/h2-9H,10,17H2,1H3
InChIKeyNMOQMZOTZQKKOK-UHFFFAOYSA-N
XLogP2.65
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone
CID 23938133
(4-methoxyphenyl)methyl 2-methylbenzimidazole-1-carboxylate
CID 67949207
2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 10739297
2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 23990384
2-methylbutan-2-yl 2-methylbenzimidazole-1-carboxylate
CID 67187186
1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone
CID 110499526
1-(benzotriazol-1-yl)-2-(4-methylphenoxy)ethanone
CID 14896987
2-(4-aminophenoxy)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62205697
(2-chlorophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791264
N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791448
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone (CID 84750974) is 2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone is Cc1nc2ccccc2n1C(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone?
The InChIKey is NMOQMZOTZQKKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-18-14-4-2-3-5-15(14)19(11)16(20)10-21-13-8-6-12(17)7-9-13/h2-9H,10,17H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone?
2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone has a molecular weight of 281.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 84750974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).