2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide

C20H20Cl2N4O — CID 1469420

IUPAC2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CN1CCC(n2cnc3ccccc32)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H20Cl2N4O/c21-16-6-5-14(11-17(16)22)24-20(27)12-25-9-7-15(8-10-25)26-13-23-18-3-1-2-4-19(18)26/h1-6,11,13,15H,7-10,12H2,(H,24,27)
InChIKeyRCEPZOGSNMSVQF-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.62
Rot. Bonds4

About 2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide

2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 1469420) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide
PubChem CID1469420
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC Name2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CN1CCC(n2cnc3ccccc32)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H20Cl2N4O/c21-16-6-5-14(11-17(16)22)24-20(27)12-25-9-7-15(8-10-25)26-13-23-18-3-1-2-4-19(18)26/h1-6,11,13,15H,7-10,12H2,(H,24,27)
InChIKeyRCEPZOGSNMSVQF-UHFFFAOYSA-N
XLogP4.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1469552
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide
CID 46958748
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909920
N-(3,4-dichlorophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725978
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16909938
N-(3,4-dichlorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136524
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16909954
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
N-(1-cyclohexylbenzimidazol-5-yl)-2-(3-oxopiperazin-1-yl)acetamide
CID 46978566

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide (CID 1469420) is 2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide is O=C(CN1CCC(n2cnc3ccccc32)CC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is RCEPZOGSNMSVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c21-16-6-5-14(11-17(16)22)24-20(27)12-25-9-7-15(8-10-25)26-13-23-18-3-1-2-4-19(18)26/h1-6,11,13,15H,7-10,12H2,(H,24,27).
What are the key properties of 2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide?
2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 403.31 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 1469420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).