2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone

C20H17Cl4N3O — CID 134153885

IUPAC2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone
SMILESO=C(CN1CCCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)C1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H17Cl4N3O/c21-13-4-12(5-14(22)6-13)19(28)10-27-3-1-2-11(9-27)20-25-17-7-15(23)16(24)8-18(17)26-20/h4-8,11H,1-3,9-10H2,(H,25,26)
InChIKeyAVBPNVISXVUCGA-UHFFFAOYSA-N
MW457.19 g/mol
LogP6.24
Rot. Bonds4

About 2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone

2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone (PubChem CID 134153885) has the molecular formula C20H17Cl4N3O and a molecular weight of 457.19 g/mol. Its IUPAC name is 2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone
PubChem CID134153885
Molecular FormulaC20H17Cl4N3O
Molecular Weight457.19 g/mol
Exact Mass455.01
IUPAC Name2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone
SMILESO=C(CN1CCCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)C1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H17Cl4N3O/c21-13-4-12(5-14(22)6-13)19(28)10-27-3-1-2-11(9-27)20-25-17-7-15(23)16(24)8-18(17)26-20/h4-8,11H,1-3,9-10H2,(H,25,26)
InChIKeyAVBPNVISXVUCGA-UHFFFAOYSA-N
XLogP6.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.19
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone with MolForge

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Related Compounds

5,6-dichloro-2-cycloheptyl-1H-benzimidazole
CID 82004587
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
4-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-diethylpiperidine-1-carboxamide
CID 110603188
2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 43981509
2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole
CID 82003889
2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide
CID 167767525
2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802957
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 56785945
2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95619483
1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone
CID 83896303
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 82052786
4-(5,6-dichloro-1H-benzimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 110611061

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone?
The IUPAC name of 2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone (CID 134153885) is 2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone?
The canonical SMILES for 2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone is O=C(CN1CCCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)C1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone?
The InChIKey is AVBPNVISXVUCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl4N3O/c21-13-4-12(5-14(22)6-13)19(28)10-27-3-1-2-11(9-27)20-25-17-7-15(23)16(24)8-18(17)26-20/h4-8,11H,1-3,9-10H2,(H,25,26).
What are the key properties of 2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone?
2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone has a molecular weight of 457.19 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3,5-dichlorophenyl)ethanone is sourced from PubChem (CID 134153885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).