1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone

C15H11Cl2N3O2 — CID 17384308

IUPAC1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone
SMILESNc1nc2ccccc2n1C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O2/c16-9-5-6-13(10(17)7-9)22-8-14(21)20-12-4-2-1-3-11(12)19-15(20)18/h1-7H,8H2,(H2,18,19)
InChIKeyVLXGDAOPLFOCRV-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.64
Rot. Bonds3

About 1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone

1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone (PubChem CID 17384308) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone
PubChem CID17384308
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone
SMILESNc1nc2ccccc2n1C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O2/c16-9-5-6-13(10(17)7-9)22-8-14(21)20-12-4-2-1-3-11(12)19-15(20)18/h1-7H,8H2,(H2,18,19)
InChIKeyVLXGDAOPLFOCRV-UHFFFAOYSA-N
XLogP3.64
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzotriazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 2321100
2-(2,4-dichlorophenoxy)-N-(1-methylbenzimidazol-2-yl)acetamide
CID 35280310
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 99965989
4-(2-aminobenzimidazol-1-yl)-4-oxobutanoic acid
CID 96582906
1-[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 155952715
2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 10739297
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide
CID 41109508
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 39711810
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone?
The IUPAC name of 1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone (CID 17384308) is 1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone.
What is the SMILES notation for 1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone?
The canonical SMILES for 1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone is Nc1nc2ccccc2n1C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone?
The InChIKey is VLXGDAOPLFOCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c16-9-5-6-13(10(17)7-9)22-8-14(21)20-12-4-2-1-3-11(12)19-15(20)18/h1-7H,8H2,(H2,18,19).
What are the key properties of 1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone?
1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone has a molecular weight of 336.18 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobenzimidazol-1-yl)-2-(2,4-dichlorophenoxy)ethanone is sourced from PubChem (CID 17384308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).