2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline

C16H15F2N3 — CID 63188091

IUPAC2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
SMILESCC(C)n1c(-c2ccc(N)c(F)c2)nc2cc(F)ccc21
InChIInChI=1S/C16H15F2N3/c1-9(2)21-15-6-4-11(17)8-14(15)20-16(21)10-3-5-13(19)12(18)7-10/h3-9H,19H2,1-2H3
InChIKeyFBDATVGXHUDKAM-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.14
Rot. Bonds2

About 2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline

2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline (PubChem CID 63188091) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
PubChem CID63188091
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
SMILESCC(C)n1c(-c2ccc(N)c(F)c2)nc2cc(F)ccc21
InChIInChI=1S/C16H15F2N3/c1-9(2)21-15-6-4-11(17)8-14(15)20-16(21)10-3-5-13(19)12(18)7-10/h3-9H,19H2,1-2H3
InChIKeyFBDATVGXHUDKAM-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
CID 60785792
2-amino-6-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136712554
3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide
CID 119900910
3-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]propanamide;dihydrochloride
CID 119900909
2-amino-4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872091
2-methoxy-4-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 82333398
4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 63187874
4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 136903734
4-amino-N-[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylphenyl]pentanamide
CID 120565984
2-amino-4-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872096
2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,4-diol
CID 136903733
2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872074

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline?
The IUPAC name of 2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline (CID 63188091) is 2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline?
The canonical SMILES for 2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline is CC(C)n1c(-c2ccc(N)c(F)c2)nc2cc(F)ccc21.
What is the InChIKey of 2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline?
The InChIKey is FBDATVGXHUDKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-9(2)21-15-6-4-11(17)8-14(15)20-16(21)10-3-5-13(19)12(18)7-10/h3-9H,19H2,1-2H3.
What are the key properties of 2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline?
2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline has a molecular weight of 287.31 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 63188091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).