N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide

C18H13F2N5O — CID 5042148

IUPACN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2F)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C18H13F2N5O/c1-10-8-16(23-17(26)12-7-6-11(19)9-13(12)20)25(24-10)18-21-14-4-2-3-5-15(14)22-18/h2-9H,1H3,(H,21,22)(H,23,26)
InChIKeyUCTZHWMDGWWFJR-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.59
Rot. Bonds3

About N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide

N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide (PubChem CID 5042148) 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]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide
PubChem CID5042148
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2F)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C18H13F2N5O/c1-10-8-16(23-17(26)12-7-6-11(19)9-13(12)20)25(24-10)18-21-14-4-2-3-5-15(14)22-18/h2-9H,1H3,(H,21,22)(H,23,26)
InChIKeyUCTZHWMDGWWFJR-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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Related Compounds

N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-bromobenzamide
CID 3343842
2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752929
4-(azepan-1-ylsulfonyl)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 4019453
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-cyclopentylpropanamide
CID 4013933
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide
CID 2426865
2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752917
3-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752930
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide
CID 135752996
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
4-fluoro-N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]benzamide
CID 23959240
2-bromo-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870137
N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2,4-difluorobenzamide
CID 136605670

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide (CID 5042148) is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide is Cc1cc(NC(=O)c2ccc(F)cc2F)n(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide?
The InChIKey is UCTZHWMDGWWFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c1-10-8-16(23-17(26)12-7-6-11(19)9-13(12)20)25(24-10)18-21-14-4-2-3-5-15(14)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]-2,4-difluorobenzamide?
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-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]-2,4-difluorobenzamide is sourced from PubChem (CID 5042148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).