3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline

C15H14FN3 — CID 63020703

IUPAC3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline
SMILESCc1cc(N)cc(-c2nc3c(F)cccc3[nH]2)c1C
InChIInChI=1S/C15H14FN3/c1-8-6-10(17)7-11(9(8)2)15-18-13-5-3-4-12(16)14(13)19-15/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyLJZJILUENJUMSY-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.57
Rot. Bonds1

About 3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline

3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline (PubChem CID 63020703) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline.

Molecular Properties

Compound Name3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline
PubChem CID63020703
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline
SMILESCc1cc(N)cc(-c2nc3c(F)cccc3[nH]2)c1C
InChIInChI=1S/C15H14FN3/c1-8-6-10(17)7-11(9(8)2)15-18-13-5-3-4-12(16)14(13)19-15/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyLJZJILUENJUMSY-UHFFFAOYSA-N
XLogP3.57
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667
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
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
3-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556475
4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
CID 64721931
5-(4-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-amine
CID 135995632
2-(3-ethyl-6-methylpyridazin-4-yl)-4-fluoro-1H-benzimidazole
CID 104671005
4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
CID 60979206
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline?
The IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline (CID 63020703) is 3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline.
What is the SMILES notation for 3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline?
The canonical SMILES for 3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline is Cc1cc(N)cc(-c2nc3c(F)cccc3[nH]2)c1C.
What is the InChIKey of 3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline?
The InChIKey is LJZJILUENJUMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-8-6-10(17)7-11(9(8)2)15-18-13-5-3-4-12(16)14(13)19-15/h3-7H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline?
3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline has a molecular weight of 255.30 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline is sourced from PubChem (CID 63020703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).