2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide

C21H24FN4O2+ — CID 7304046

IUPAC2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)C[NH+]2CCC(n3cnc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C21H23FN4O2/c1-28-18-4-2-3-16(12-18)24-21(27)13-25-9-7-17(8-10-25)26-14-23-19-11-15(22)5-6-20(19)26/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,24,27)/p+1
InChIKeyLWORCPXXENLZEA-UHFFFAOYSA-O
MW383.45 g/mol
LogP2.04
Rot. Bonds5

About 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide

2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 7304046) has the molecular formula C21H24FN4O2+ and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID7304046
Molecular FormulaC21H24FN4O2+
Molecular Weight383.45 g/mol
Exact Mass383.19
IUPAC Name2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)C[NH+]2CCC(n3cnc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C21H23FN4O2/c1-28-18-4-2-3-16(12-18)24-21(27)13-25-9-7-17(8-10-25)26-14-23-19-11-15(22)5-6-20(19)26/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,24,27)/p+1
InChIKeyLWORCPXXENLZEA-UHFFFAOYSA-O
XLogP2.04
TPSA60.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate
CID 7406721
2-(azocan-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583684
N-(3,5-dimethoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
CID 7436503
N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide
CID 9020166
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(3-methoxyphenyl)acetamide
CID 9259161
4-(5-fluorobenzimidazol-1-yl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide
CID 43814425
N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide
CID 110772965
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3480604
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
N-(4-methoxyphenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-ium-1-yl]acetamide
CID 7406517
4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide
CID 1462301

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide (CID 7304046) is 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)C[NH+]2CCC(n3cnc4cc(F)ccc43)CC2)c1.
What is the InChIKey of 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is LWORCPXXENLZEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23FN4O2/c1-28-18-4-2-3-16(12-18)24-21(27)13-25-9-7-17(8-10-25)26-14-23-19-11-15(22)5-6-20(19)26/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,24,27)/p+1.
What are the key properties of 2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 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-ium-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 7304046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).