2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole

C14H13FN4 — CID 104671005

IUPAC2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole
SMILESCCc1nnc(C)cc1-c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C14H13FN4/c1-3-11-9(7-8(2)18-19-11)14-16-12-6-4-5-10(15)13(12)17-14/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyVCVSEZYOFJFSBQ-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.03
Rot. Bonds2

About 2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole

2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole (PubChem CID 104671005) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole
PubChem CID104671005
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole
SMILESCCc1nnc(C)cc1-c1nc2c(F)cccc2[nH]1
InChIInChI=1S/C14H13FN4/c1-3-11-9(7-8(2)18-19-11)14-16-12-6-4-5-10(15)13(12)17-14/h4-7H,3H2,1-2H3,(H,16,17)
InChIKeyVCVSEZYOFJFSBQ-UHFFFAOYSA-N
XLogP3.03
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721029
5-bromo-2-(3-ethyl-6-methylpyridazin-4-yl)-6-fluoro-1H-benzimidazole
CID 104671016
3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829916
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline
CID 63020703
4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
CID 64721931
4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
CID 60979206
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole
CID 137004324

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole (CID 104671005) is 2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole is CCc1nnc(C)cc1-c1nc2c(F)cccc2[nH]1.
What is the InChIKey of 2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole?
The InChIKey is VCVSEZYOFJFSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-3-11-9(7-8(2)18-19-11)14-16-12-6-4-5-10(15)13(12)17-14/h4-7H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole?
2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole has a molecular weight of 256.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 104671005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).