2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone

C22H24ClN3O2 — CID 16999048

IUPAC2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C22H24ClN3O2/c1-16(28-18-11-9-17(23)10-12-18)22-24-19-7-3-4-8-20(19)26(22)15-21(27)25-13-5-2-6-14-25/h3-4,7-12,16H,2,5-6,13-15H2,1H3
InChIKeyPNUJMUZNVHJKCD-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.84
Rot. Bonds5

About 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone

2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 16999048) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID16999048
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C22H24ClN3O2/c1-16(28-18-11-9-17(23)10-12-18)22-24-19-7-3-4-8-20(19)26(22)15-21(27)25-13-5-2-6-14-25/h3-4,7-12,16H,2,5-6,13-15H2,1H3
InChIKeyPNUJMUZNVHJKCD-UHFFFAOYSA-N
XLogP4.84
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16999210
2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 16999050
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
2-[2-[hydroxy(phenyl)methyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 2985948
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
CID 16999033
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 17001389
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
CID 16998965
propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate
CID 16998895
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide
CID 17009443
1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 16996586
N-methyl-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 16998881
2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 82359384

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone (CID 16999048) is 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone is CC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1CC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is PNUJMUZNVHJKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-16(28-18-11-9-17(23)10-12-18)22-24-19-7-3-4-8-20(19)26(22)15-21(27)25-13-5-2-6-14-25/h3-4,7-12,16H,2,5-6,13-15H2,1H3.
What are the key properties of 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 397.91 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 16999048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).