1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone

C20H20ClN3O2 — CID 46509164

IUPAC1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone
SMILESO=C(COc1ccccc1Cl)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H20ClN3O2/c21-15-7-1-4-10-18(15)26-13-19(25)24-11-5-6-14(12-24)20-22-16-8-2-3-9-17(16)23-20/h1-4,7-10,14H,5-6,11-13H2,(H,22,23)
InChIKeyMFXHMUJSHHZSHU-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.00
Rot. Bonds4

About 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone (PubChem CID 46509164) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone
PubChem CID46509164
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone
SMILESO=C(COc1ccccc1Cl)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H20ClN3O2/c21-15-7-1-4-10-18(15)26-13-19(25)24-11-5-6-14(12-24)20-22-16-8-2-3-9-17(16)23-20/h1-4,7-10,14H,5-6,11-13H2,(H,22,23)
InChIKeyMFXHMUJSHHZSHU-UHFFFAOYSA-N
XLogP4.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95896011
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 56807357
2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390712
methyl N-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 94179831
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one
CID 55790773
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 46542392
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 95869645

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone (CID 46509164) is 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone is O=C(COc1ccccc1Cl)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone?
The InChIKey is MFXHMUJSHHZSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-15-7-1-4-10-18(15)26-13-19(25)24-11-5-6-14(12-24)20-22-16-8-2-3-9-17(16)23-20/h1-4,7-10,14H,5-6,11-13H2,(H,22,23).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone?
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone has a molecular weight of 369.85 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone is sourced from PubChem (CID 46509164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).