4-fluoro-2-(4-methylphenyl)-1H-benzimidazole

C14H11FN2 — CID 60979204

IUPAC4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C14H11FN2/c1-9-5-7-10(8-6-9)14-16-12-4-2-3-11(15)13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKeyMPIPOROFRKMHRO-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.68
Rot. Bonds1

About 4-fluoro-2-(4-methylphenyl)-1H-benzimidazole

4-fluoro-2-(4-methylphenyl)-1H-benzimidazole (PubChem CID 60979204) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-fluoro-2-(4-methylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
PubChem CID60979204
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2nc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C14H11FN2/c1-9-5-7-10(8-6-9)14-16-12-4-2-3-11(15)13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKeyMPIPOROFRKMHRO-UHFFFAOYSA-N
XLogP3.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 60784143
2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
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2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole
CID 60977992
4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
CID 64721931
3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829916
4-fluoro-2-(2-fluoro-6-methoxyphenyl)-1H-benzimidazole
CID 65434615
2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole
CID 103222483
2-chloro-5-(4-fluoro-1H-benzimidazol-2-yl)aniline
CID 54920023
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667
2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole
CID 103859014
2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole
CID 137004324

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-methylphenyl)-1H-benzimidazole?
The IUPAC name of 4-fluoro-2-(4-methylphenyl)-1H-benzimidazole (CID 60979204) is 4-fluoro-2-(4-methylphenyl)-1H-benzimidazole.
What is the SMILES notation for 4-fluoro-2-(4-methylphenyl)-1H-benzimidazole?
The canonical SMILES for 4-fluoro-2-(4-methylphenyl)-1H-benzimidazole is Cc1ccc(-c2nc3c(F)cccc3[nH]2)cc1.
What is the InChIKey of 4-fluoro-2-(4-methylphenyl)-1H-benzimidazole?
The InChIKey is MPIPOROFRKMHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c1-9-5-7-10(8-6-9)14-16-12-4-2-3-11(15)13(12)17-14/h2-8H,1H3,(H,16,17).
What are the key properties of 4-fluoro-2-(4-methylphenyl)-1H-benzimidazole?
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole has a molecular weight of 226.25 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-methylphenyl)-1H-benzimidazole is sourced from PubChem (CID 60979204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).