2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole

C12H10F2N4 — CID 113338114

IUPAC2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole
SMILESCc1nn(C)cc1-c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C12H10F2N4/c1-6-7(5-18(2)17-6)12-15-10-3-8(13)9(14)4-11(10)16-12/h3-5H,1-2H3,(H,15,16)
InChIKeyOMFGJOQUMVCGPM-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.55
Rot. Bonds1

About 2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole

2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole (PubChem CID 113338114) has the molecular formula C12H10F2N4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole
PubChem CID113338114
Molecular FormulaC12H10F2N4
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole
SMILESCc1nn(C)cc1-c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C12H10F2N4/c1-6-7(5-18(2)17-6)12-15-10-3-8(13)9(14)4-11(10)16-12/h3-5H,1-2H3,(H,15,16)
InChIKeyOMFGJOQUMVCGPM-UHFFFAOYSA-N
XLogP2.55
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dimethylpyrazol-4-yl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 103849870
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776
2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole
CID 82772918
2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 43470869
2-(1,3-dimethylpyrazol-4-yl)-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;formic acid
CID 171707917
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine
CID 82385817
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4-fluoroaniline
CID 60835368
5,6-difluoro-2-(2,4,6-trifluorophenyl)-1H-benzimidazole
CID 65100266
2-(2,5-dibromophenyl)-5,6-difluoro-1H-benzimidazole
CID 114373862
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928229
2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107049774
2-(3-chloro-4-methylthiophen-2-yl)-5,6-difluoro-1H-benzimidazole
CID 103402837

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole (CID 113338114) is 2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole is Cc1nn(C)cc1-c1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole?
The InChIKey is OMFGJOQUMVCGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4/c1-6-7(5-18(2)17-6)12-15-10-3-8(13)9(14)4-11(10)16-12/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole?
2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole has a molecular weight of 248.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 113338114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).