2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone

C15H17F2N5O2 — CID 166303255

IUPAC2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(C(=O)c2cccc3[nH]c(C(F)F)nc23)CC1
InChIInChI=1S/C15H17F2N5O2/c16-13(17)14-19-10-3-1-2-9(12(10)20-14)15(24)22-6-4-21(5-7-22)11(23)8-18/h1-3,13H,4-8,18H2,(H,19,20)
InChIKeyCFGYDWXDHPDKOH-UHFFFAOYSA-N
MW337.33 g/mol
LogP0.74
Rot. Bonds3

About 2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone

2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 166303255) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID166303255
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC Name2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(C(=O)c2cccc3[nH]c(C(F)F)nc23)CC1
InChIInChI=1S/C15H17F2N5O2/c16-13(17)14-19-10-3-1-2-9(12(10)20-14)15(24)22-6-4-21(5-7-22)11(23)8-18/h1-3,13H,4-8,18H2,(H,19,20)
InChIKeyCFGYDWXDHPDKOH-UHFFFAOYSA-N
XLogP0.74
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone (CID 166303255) is 2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone is NCC(=O)N1CCN(C(=O)c2cccc3[nH]c(C(F)F)nc23)CC1.
What is the InChIKey of 2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is CFGYDWXDHPDKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c16-13(17)14-19-10-3-1-2-9(12(10)20-14)15(24)22-6-4-21(5-7-22)11(23)8-18/h1-3,13H,4-8,18H2,(H,19,20).
What are the key properties of 2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone?
2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 337.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-(difluoromethyl)-1H-benzimidazole-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 166303255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).