N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide

C18H13F2N5O — CID 5111904

IUPACN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C18H13F2N5O/c1-10-9-15(23-17(26)16-11(19)5-4-6-12(16)20)25(24-10)18-21-13-7-2-3-8-14(13)22-18/h2-9H,1H3,(H,21,22)(H,23,26)
InChIKeyDNJFMIDNBNDNHI-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.59
Rot. Bonds3

About N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide

N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide (PubChem CID 5111904) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
PubChem CID5111904
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C18H13F2N5O/c1-10-9-15(23-17(26)16-11(19)5-4-6-12(16)20)25(24-10)18-21-13-7-2-3-8-14(13)22-18/h2-9H,1H3,(H,21,22)(H,23,26)
InChIKeyDNJFMIDNBNDNHI-UHFFFAOYSA-N
XLogP3.59
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide (CID 5111904) is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide is Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide?
The InChIKey is DNJFMIDNBNDNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c1-10-9-15(23-17(26)16-11(19)5-4-6-12(16)20)25(24-10)18-21-13-7-2-3-8-14(13)22-18/h2-9H,1H3,(H,21,22)(H,23,26).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide?
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide has a molecular weight of 353.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 5111904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).