N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide

C17H11F2N5O — CID 135458177

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C17H11F2N5O/c18-9-4-3-5-10(19)14(9)17(25)23-13-8-20-24-15(13)16-21-11-6-1-2-7-12(11)22-16/h1-8H,(H,20,24)(H,21,22)(H,23,25)
InChIKeyKGUQXJMKXFMQKL-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.48
Rot. Bonds3

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide (PubChem CID 135458177) has the molecular formula C17H11F2N5O and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
PubChem CID135458177
Molecular FormulaC17H11F2N5O
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C17H11F2N5O/c18-9-4-3-5-10(19)14(9)17(25)23-13-8-20-24-15(13)16-21-11-6-1-2-7-12(11)22-16/h1-8H,(H,20,24)(H,21,22)(H,23,25)
InChIKeyKGUQXJMKXFMQKL-UHFFFAOYSA-N
XLogP3.48
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide (CID 135458177) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide is O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1c(F)cccc1F.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The InChIKey is KGUQXJMKXFMQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O/c18-9-4-3-5-10(19)14(9)17(25)23-13-8-20-24-15(13)16-21-11-6-1-2-7-12(11)22-16/h1-8H,(H,20,24)(H,21,22)(H,23,25).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide has a molecular weight of 339.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 135458177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).