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

C13H9F2N3 — CID 55100100

IUPAC2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cccc(F)c3F)[nH]c2c1
InChIInChI=1S/C13H9F2N3/c14-9-3-1-2-8(12(9)15)13-17-10-5-4-7(16)6-11(10)18-13/h1-6H,16H2,(H,17,18)
InChIKeyJWAFKPFFXHIMMK-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.09
Rot. Bonds1

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

2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine (PubChem CID 55100100) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine
PubChem CID55100100
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC Name2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cccc(F)c3F)[nH]c2c1
InChIInChI=1S/C13H9F2N3/c14-9-3-1-2-8(12(9)15)13-17-10-5-4-7(16)6-11(10)18-13/h1-6H,16H2,(H,17,18)
InChIKeyJWAFKPFFXHIMMK-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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Related Compounds

2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004256
2-(2-phenylphenyl)-3H-benzimidazol-5-amine
CID 11150323
2-(2-iodophenyl)-3H-benzimidazol-5-amine
CID 24706504
2-quinolin-5-yl-3H-benzimidazol-5-amine
CID 62874194
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4-fluoroaniline
CID 60835368
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 114020270
2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine
CID 79802554
2-(6-amino-1H-benzimidazol-2-yl)benzoate
CID 4247515
2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine
CID 143074380
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine (CID 55100100) is 2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3cccc(F)c3F)[nH]c2c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine?
The InChIKey is JWAFKPFFXHIMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c14-9-3-1-2-8(12(9)15)13-17-10-5-4-7(16)6-11(10)18-13/h1-6H,16H2,(H,17,18).
What are the key properties of 2-(2,3-difluorophenyl)-3H-benzimidazol-5-amine?
2-(2,3-difluorophenyl)-3H-benzimidazol-5-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-(2,3-difluorophenyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 55100100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).