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

C12H11FN4 — CID 137004324

IUPAC2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole
SMILESCc1cc(-c2nc3c(F)cccc3[nH]2)nn1C
InChIInChI=1S/C12H11FN4/c1-7-6-10(16-17(7)2)12-14-9-5-3-4-8(13)11(9)15-12/h3-6H,1-2H3,(H,14,15)
InChIKeyIIYZRPWXYWUZHD-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.41
Rot. Bonds1

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

2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole (PubChem CID 137004324) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole
PubChem CID137004324
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole
SMILESCc1cc(-c2nc3c(F)cccc3[nH]2)nn1C
InChIInChI=1S/C12H11FN4/c1-7-6-10(16-17(7)2)12-14-9-5-3-4-8(13)11(9)15-12/h3-6H,1-2H3,(H,14,15)
InChIKeyIIYZRPWXYWUZHD-UHFFFAOYSA-N
XLogP2.41
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
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5-(4-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-amine
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3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829916
4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 60784143
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667
2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole
CID 60977992
3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline
CID 63020703
4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
CID 64721931
2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole
CID 103859014

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole (CID 137004324) is 2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole is Cc1cc(-c2nc3c(F)cccc3[nH]2)nn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole?
The InChIKey is IIYZRPWXYWUZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c1-7-6-10(16-17(7)2)12-14-9-5-3-4-8(13)11(9)15-12/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole?
2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole has a molecular weight of 230.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 137004324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).