2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone

C23H26ClN3O2 — CID 16999210

IUPAC2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1cc(OC(C)c2nc3ccccc3n2CC(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C23H26ClN3O2/c1-16-14-18(10-11-19(16)24)29-17(2)23-25-20-8-4-5-9-21(20)27(23)15-22(28)26-12-6-3-7-13-26/h4-5,8-11,14,17H,3,6-7,12-13,15H2,1-2H3
InChIKeyJEHGEXZUCYFKFV-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.15
Rot. Bonds5

About 2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone

2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 16999210) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID16999210
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCc1cc(OC(C)c2nc3ccccc3n2CC(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C23H26ClN3O2/c1-16-14-18(10-11-19(16)24)29-17(2)23-25-20-8-4-5-9-21(20)27(23)15-22(28)26-12-6-3-7-13-26/h4-5,8-11,14,17H,3,6-7,12-13,15H2,1-2H3
InChIKeyJEHGEXZUCYFKFV-UHFFFAOYSA-N
XLogP5.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16999048
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-methylprop-2-enyl)benzimidazole
CID 16999069
2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16999203
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole
CID 16999112
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole
CID 16999090
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999141
2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 16999050
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999148
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 16999140
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 17001389
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 16999173
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone (CID 16999210) is 2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone is Cc1cc(OC(C)c2nc3ccccc3n2CC(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is JEHGEXZUCYFKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-16-14-18(10-11-19(16)24)29-17(2)23-25-20-8-4-5-9-21(20)27(23)15-22(28)26-12-6-3-7-13-26/h4-5,8-11,14,17H,3,6-7,12-13,15H2,1-2H3.
What are the key properties of 2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone?
2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 411.93 g/mol, XLogP of 5.15, 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-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 16999210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).