4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

C21H22F2N4O2 — CID 44573689

IUPAC4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H22F2N4O2/c22-15-3-1-14(2-4-15)20(28)24-9-12-26-10-7-17(8-11-26)27-19-6-5-16(23)13-18(19)25-21(27)29/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)
InChIKeyQMXFZMPBYFJYLO-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.67
Rot. Bonds5

About 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide

4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 44573689) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID44573689
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H22F2N4O2/c22-15-3-1-14(2-4-15)20(28)24-9-12-26-10-7-17(8-11-26)27-19-6-5-16(23)13-18(19)25-21(27)29/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)
InChIKeyQMXFZMPBYFJYLO-UHFFFAOYSA-N
XLogP2.67
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide with MolForge

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Related Compounds

4-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 53470220
1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 70780487
2-acetamido-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide
CID 21428813
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119448652
3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 25105699
1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70771286
3-fluoro-4-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 53300658
1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119394046
2-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428921
1-(2-fluorophenyl)-3-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]urea
CID 53470261
2,5-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428849
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 6489617

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide (CID 44573689) is 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is QMXFZMPBYFJYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c22-15-3-1-14(2-4-15)20(28)24-9-12-26-10-7-17(8-11-26)27-19-6-5-16(23)13-18(19)25-21(27)29/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29).
What are the key properties of 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide?
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 400.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 44573689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).