4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline

C14H12FN3 — CID 60784143

IUPAC4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
SMILESCc1cc(-c2nc3c(F)cccc3[nH]2)ccc1N
InChIInChI=1S/C14H12FN3/c1-8-7-9(5-6-11(8)16)14-17-12-4-2-3-10(15)13(12)18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyHIZPQKIEQQPJSP-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.26
Rot. Bonds1

About 4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline

4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline (PubChem CID 60784143) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
PubChem CID60784143
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
SMILESCc1cc(-c2nc3c(F)cccc3[nH]2)ccc1N
InChIInChI=1S/C14H12FN3/c1-8-7-9(5-6-11(8)16)14-17-12-4-2-3-10(15)13(12)18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyHIZPQKIEQQPJSP-UHFFFAOYSA-N
XLogP3.26
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.26
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-chloro-5-(4-fluoro-1H-benzimidazol-2-yl)aniline
CID 54920023
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
CID 114020271
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667
3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline
CID 63020703
2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole
CID 103859014
2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole
CID 103222483
2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole
CID 60977992
methyl 2-(4-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357577
2-(3-methylphenyl)-1H-benzimidazol-4-amine
CID 63691360
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1H-benzimidazole
CID 64722297
5-(4-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-amine
CID 135995632

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline?
The IUPAC name of 4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline (CID 60784143) is 4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline.
What is the SMILES notation for 4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline?
The canonical SMILES for 4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline is Cc1cc(-c2nc3c(F)cccc3[nH]2)ccc1N.
What is the InChIKey of 4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline?
The InChIKey is HIZPQKIEQQPJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-8-7-9(5-6-11(8)16)14-17-12-4-2-3-10(15)13(12)18-14/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline?
4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline has a molecular weight of 241.27 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline is sourced from PubChem (CID 60784143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).