2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide

C23H27ClN4O2 — CID 42880320

IUPAC2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide
SMILESCCCn1c(N2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc21
InChIInChI=1S/C23H27ClN4O2/c1-2-13-28-21-6-4-3-5-20(21)26-23(28)27-14-11-18(12-15-27)25-22(29)16-30-19-9-7-17(24)8-10-19/h3-10,18H,2,11-16H2,1H3,(H,25,29)
InChIKeyQUIVFKIGECZEEU-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.26
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide

2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide (PubChem CID 42880320) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide
PubChem CID42880320
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide
SMILESCCCn1c(N2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc21
InChIInChI=1S/C23H27ClN4O2/c1-2-13-28-21-6-4-3-5-20(21)26-23(28)27-14-11-18(12-15-27)25-22(29)16-30-19-9-7-17(24)8-10-19/h3-10,18H,2,11-16H2,1H3,(H,25,29)
InChIKeyQUIVFKIGECZEEU-UHFFFAOYSA-N
XLogP4.26
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 46106803
N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 42880316
2-(4-chlorophenoxy)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16986374
2-(4-chlorophenoxy)-N-[(1-pentylbenzimidazol-2-yl)methyl]acetamide
CID 16971076
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53001361
2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide
CID 16971079
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456
[2-(cyclopropylamino)-2-oxoethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
CID 7133796
2-(4-chlorophenoxy)-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16971885
tert-butyl N-[(3S)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-yl]carbamate
CID 97174156
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106595

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide (CID 42880320) is 2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide is CCCn1c(N2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide?
The InChIKey is QUIVFKIGECZEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-2-13-28-21-6-4-3-5-20(21)26-23(28)27-14-11-18(12-15-27)25-22(29)16-30-19-9-7-17(24)8-10-19/h3-10,18H,2,11-16H2,1H3,(H,25,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide has a molecular weight of 426.95 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 42880320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).