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N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride

C19H25Cl2FN6O — CID 154905231

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(Cn1ccc(C2CCCNC2)n1)NCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H23FN6O.2ClH/c20-14-3-4-16-17(10-14)24-18(23-16)5-8-22-19(27)12-26-9-6-15(25-26)13-2-1-7-21-11-13;;/h3-4,6,9-10,13,21H,1-2,5,7-8,11-12H2,(H,22,27)(H,23,24);2*1H
InChIKeyRJZVFDSEWLMGGC-UHFFFAOYSA-N
MW443.35 g/mol
LogP2.57
Rot. Bonds6

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride (PubChem CID 154905231) has the molecular formula C19H25Cl2FN6O and a molecular weight of 443.35 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride
PubChem CID154905231
Molecular FormulaC19H25Cl2FN6O
Molecular Weight443.35 g/mol
Exact Mass442.15
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(Cn1ccc(C2CCCNC2)n1)NCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H23FN6O.2ClH/c20-14-3-4-16-17(10-14)24-18(23-16)5-8-22-19(27)12-26-9-6-15(25-26)13-2-1-7-21-11-13;;/h3-4,6,9-10,13,21H,1-2,5,7-8,11-12H2,(H,22,27)(H,23,24);2*1H
InChIKeyRJZVFDSEWLMGGC-UHFFFAOYSA-N
XLogP2.57
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride (CID 154905231) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride is Cl.Cl.O=C(Cn1ccc(C2CCCNC2)n1)NCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride?
The InChIKey is RJZVFDSEWLMGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O.2ClH/c20-14-3-4-16-17(10-14)24-18(23-16)5-8-22-19(27)12-26-9-6-15(25-26)13-2-1-7-21-11-13;;/h3-4,6,9-10,13,21H,1-2,5,7-8,11-12H2,(H,22,27)(H,23,24);2*1H.
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride has a molecular weight of 443.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(3-piperidin-3-ylpyrazol-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 154905231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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