2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine

C13H9F2N3 — CID 63694063

IUPAC2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(-c3cc(F)cc(F)c3)nc12
InChIInChI=1S/C13H9F2N3/c14-8-4-7(5-9(15)6-8)13-17-11-3-1-2-10(16)12(11)18-13/h1-6H,16H2,(H,17,18)
InChIKeyOIZIYQNNGDEBPI-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.09
Rot. Bonds1

About 2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine

2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine (PubChem CID 63694063) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine
PubChem CID63694063
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC Name2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine
SMILESNc1cccc2[nH]c(-c3cc(F)cc(F)c3)nc12
InChIInChI=1S/C13H9F2N3/c14-8-4-7(5-9(15)6-8)13-17-11-3-1-2-10(16)12(11)18-13/h1-6H,16H2,(H,17,18)
InChIKeyOIZIYQNNGDEBPI-UHFFFAOYSA-N
XLogP3.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine?
The IUPAC name of 2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine (CID 63694063) is 2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine is Nc1cccc2[nH]c(-c3cc(F)cc(F)c3)nc12.
What is the InChIKey of 2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine?
The InChIKey is OIZIYQNNGDEBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c14-8-4-7(5-9(15)6-8)13-17-11-3-1-2-10(16)12(11)18-13/h1-6H,16H2,(H,17,18).
What are the key properties of 2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine?
2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine has a molecular weight of 245.23 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 63694063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).