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

C26H25ClN4O2 — CID 5184272

IUPAC2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H25ClN4O2/c27-20-10-12-22(13-11-20)33-19-25-28-23-8-4-5-9-24(23)31(25)18-26(32)30-16-14-29(15-17-30)21-6-2-1-3-7-21/h1-13H,14-19H2
InChIKeyMIKRUZPDIOPURH-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.62
Rot. Bonds6

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

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 5184272) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID5184272
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H25ClN4O2/c27-20-10-12-22(13-11-20)33-19-25-28-23-8-4-5-9-24(23)31(25)18-26(32)30-16-14-29(15-17-30)21-6-2-1-3-7-21/h1-13H,14-19H2
InChIKeyMIKRUZPDIOPURH-UHFFFAOYSA-N
XLogP4.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanone
CID 119380723
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999317
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-ethyl-N-phenylacetamide
CID 16997147
2-[2-(phenoxymethyl)benzimidazol-1-yl]-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112813450
1-[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
CID 78902802
2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 42536578
2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 10739297
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
CID 78857564
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide
CID 112816966
2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 16997962
N'-[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]-2,3-dihydro-1,4-dioxine-5-carbohydrazide
CID 25440552

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 5184272) is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is MIKRUZPDIOPURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c27-20-10-12-22(13-11-20)33-19-25-28-23-8-4-5-9-24(23)31(25)18-26(32)30-16-14-29(15-17-30)21-6-2-1-3-7-21/h1-13H,14-19H2.
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 460.97 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 5184272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).