N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide

C24H28Cl2N4O2S — CID 10118194

IUPACN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide
SMILESCCSc1nc2ccccc2n1CC(=O)NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H28Cl2N4O2S/c1-2-33-24-28-21-5-3-4-6-22(21)30(24)16-23(31)27-11-14-29-12-9-17(10-13-29)32-18-7-8-19(25)20(26)15-18/h3-8,15,17H,2,9-14,16H2,1H3,(H,27,31)
InChIKeyPMNHTOKOWPAWIX-UHFFFAOYSA-N
MW507.49 g/mol
LogP5.11
Rot. Bonds9

About N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide

N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide (PubChem CID 10118194) has the molecular formula C24H28Cl2N4O2S and a molecular weight of 507.49 g/mol. Its IUPAC name is N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide
PubChem CID10118194
Molecular FormulaC24H28Cl2N4O2S
Molecular Weight507.49 g/mol
Exact Mass506.13
IUPAC NameN-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide
SMILESCCSc1nc2ccccc2n1CC(=O)NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H28Cl2N4O2S/c1-2-33-24-28-21-5-3-4-6-22(21)30(24)16-23(31)27-11-14-29-12-9-17(10-13-29)32-18-7-8-19(25)20(26)15-18/h3-8,15,17H,2,9-14,16H2,1H3,(H,27,31)
InChIKeyPMNHTOKOWPAWIX-UHFFFAOYSA-N
XLogP5.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 22322419
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-sulfanylidene-1H-pyridin-3-yl)acetamide
CID 10138131
N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
CID 142018826
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
CID 22322198
2-(5-chloro-1-benzothiophen-3-yl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 10163831
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 22322378
3-cyano-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 22322356
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
CID 153458835
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10161188
N-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxo-1-phenylethyl]ethanimidate
CID 142274561

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide (CID 10118194) is N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide is CCSc1nc2ccccc2n1CC(=O)NCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide?
The InChIKey is PMNHTOKOWPAWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O2S/c1-2-33-24-28-21-5-3-4-6-22(21)30(24)16-23(31)27-11-14-29-12-9-17(10-13-29)32-18-7-8-19(25)20(26)15-18/h3-8,15,17H,2,9-14,16H2,1H3,(H,27,31).
What are the key properties of N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide?
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide has a molecular weight of 507.49 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-(2-ethylsulfanylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 10118194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).