5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline

C14H12FN3 — CID 54919597

IUPAC5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1N
InChIInChI=1S/C14H12FN3/c1-8-2-3-9(6-11(8)16)14-17-12-5-4-10(15)7-13(12)18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyGJOUJVSZWWKPLW-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.26
Rot. Bonds1

About 5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline

5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline (PubChem CID 54919597) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
PubChem CID54919597
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1N
InChIInChI=1S/C14H12FN3/c1-8-2-3-9(6-11(8)16)14-17-12-5-4-10(15)7-13(12)18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyGJOUJVSZWWKPLW-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

5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
2-methyl-5-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62067932
6-fluoro-2-(2-methyl-4-pyridinyl)-1H-benzimidazole
CID 106753306
6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
CID 112730258
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136837301
2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol
CID 81432663
2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 103597133
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922110
2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol
CID 60837203
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline?
The IUPAC name of 5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline (CID 54919597) is 5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline?
The canonical SMILES for 5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline is Cc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1N.
What is the InChIKey of 5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline?
The InChIKey is GJOUJVSZWWKPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-8-2-3-9(6-11(8)16)14-17-12-5-4-10(15)7-13(12)18-14/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline?
5-(6-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 5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline is sourced from PubChem (CID 54919597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).