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

C23H26ClN3O2 — CID 16999050

IUPAC2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1CC(=O)N1CCCCC1C
InChIInChI=1S/C23H26ClN3O2/c1-16-7-5-6-14-26(16)22(28)15-27-21-9-4-3-8-20(21)25-23(27)17(2)29-19-12-10-18(24)11-13-19/h3-4,8-13,16-17H,5-7,14-15H2,1-2H3
InChIKeyQJFGOCRFOVLGKS-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.23
Rot. Bonds5

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

2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 16999050) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID16999050
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1CC(=O)N1CCCCC1C
InChIInChI=1S/C23H26ClN3O2/c1-16-7-5-6-14-26(16)22(28)15-27-21-9-4-3-8-20(21)25-23(27)17(2)29-19-12-10-18(24)11-13-19/h3-4,8-13,16-17H,5-7,14-15H2,1-2H3
InChIKeyQJFGOCRFOVLGKS-UHFFFAOYSA-N
XLogP5.23
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 ≤ 55.23
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-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16999210
4-chloro-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977264
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 16997427
3,4-dimethoxy-N-[1-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010070
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641
1-(2-methylpiperidin-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999320
2-[2-(3-methylphenyl)benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 17000859
2-[2-(benzylamino)benzimidazol-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 9119343
2-(1-benzylbenzimidazol-2-yl)sulfanyl-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1470368
2,2-dimethyl-N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 16975055
1-methyl-4-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17002359

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 16999050) is 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is CC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1CC(=O)N1CCCCC1C.
What is the InChIKey of 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is QJFGOCRFOVLGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-16-7-5-6-14-26(16)22(28)15-27-21-9-4-3-8-20(21)25-23(27)17(2)29-19-12-10-18(24)11-13-19/h3-4,8-13,16-17H,5-7,14-15H2,1-2H3.
What are the key properties of 2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 411.93 g/mol, XLogP of 5.23, 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-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 16999050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).