2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone

C22H17ClN2O3 — CID 10739297

IUPAC2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)n1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H17ClN2O3/c23-16-10-12-18(13-11-16)28-15-22(26)25-20-9-5-4-8-19(20)24-21(25)14-27-17-6-2-1-3-7-17/h1-13H,14-15H2
InChIKeyKKGICQVUCYTDGS-UHFFFAOYSA-N
MW392.84 g/mol
LogP4.99
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone

2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone (PubChem CID 10739297) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
PubChem CID10739297
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)n1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H17ClN2O3/c23-16-10-12-18(13-11-16)28-15-22(26)25-20-9-5-4-8-19(20)24-21(25)14-27-17-6-2-1-3-7-17/h1-13H,14-15H2
InChIKeyKKGICQVUCYTDGS-UHFFFAOYSA-N
XLogP4.99
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-2-yloxy-1-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 23990384
2-(4-bromophenoxy)-1-(2-ethylbenzimidazol-1-yl)ethanone
CID 23938133
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
2-(4-chlorophenoxy)-1-[2-[(2-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone
CID 34317789
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 5184272
[2-(phenoxymethyl)benzimidazol-1-yl]-pyridin-3-ylmethanone
CID 19256672
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147
2-(4-aminophenoxy)-1-(2-methylbenzimidazol-1-yl)ethanone
CID 84750974
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
[1-(4-chlorobenzoyl)benzimidazol-2-yl]methyl 4-chlorobenzoate
CID 21204758
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide
CID 112816966
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
CID 78857564

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone (CID 10739297) is 2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone is O=C(COc1ccc(Cl)cc1)n1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone?
The InChIKey is KKGICQVUCYTDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c23-16-10-12-18(13-11-16)28-15-22(26)25-20-9-5-4-8-19(20)24-21(25)14-27-17-6-2-1-3-7-17/h1-13H,14-15H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone has a molecular weight of 392.84 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 10739297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).