2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C21H22F2N4O — CID 1469402

IUPAC2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCC(n2cnc3cc(F)ccc32)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H22F2N4O/c22-16-3-1-15(2-4-16)12-24-21(28)13-26-9-7-18(8-10-26)27-14-25-19-11-17(23)5-6-20(19)27/h1-6,11,14,18H,7-10,12-13H2,(H,24,28)
InChIKeyYMXBMVJYAAUVSY-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.27
Rot. Bonds5

About 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 1469402) has the molecular formula C21H22F2N4O and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID1469402
Molecular FormulaC21H22F2N4O
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Name2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCC(n2cnc3cc(F)ccc32)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H22F2N4O/c22-16-3-1-15(2-4-16)12-24-21(28)13-26-9-7-18(8-10-26)27-14-25-19-11-17(23)5-6-20(19)27/h1-6,11,14,18H,7-10,12-13H2,(H,24,28)
InChIKeyYMXBMVJYAAUVSY-UHFFFAOYSA-N
XLogP3.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923412
2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 163345436
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493771
1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide
CID 4583884
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46162316
2-(4-amino-3-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 81451256
tert-butyl N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 55736834
2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 1469420
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9436194

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 1469402) is 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1CCC(n2cnc3cc(F)ccc32)CC1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is YMXBMVJYAAUVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O/c22-16-3-1-15(2-4-16)12-24-21(28)13-26-9-7-18(8-10-26)27-14-25-19-11-17(23)5-6-20(19)27/h1-6,11,14,18H,7-10,12-13H2,(H,24,28).
What are the key properties of 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 384.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 1469402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).