6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine

C16H15F2N3 — CID 63546227

IUPAC6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
SMILESCC(C)c1cccc(-n2c(N)nc3ccc(F)c(F)c32)c1
InChIInChI=1S/C16H15F2N3/c1-9(2)10-4-3-5-11(8-10)21-15-13(20-16(21)19)7-6-12(17)14(15)18/h3-9H,1-2H3,(H2,19,20)
InChIKeyVEWMAWGKWGDRGH-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.01
Rot. Bonds2

About 6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine

6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine (PubChem CID 63546227) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
PubChem CID63546227
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
SMILESCC(C)c1cccc(-n2c(N)nc3ccc(F)c(F)c32)c1
InChIInChI=1S/C16H15F2N3/c1-9(2)10-4-3-5-11(8-10)21-15-13(20-16(21)19)7-6-12(17)14(15)18/h3-9H,1-2H3,(H2,19,20)
InChIKeyVEWMAWGKWGDRGH-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine (CID 63546227) is 6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine is CC(C)c1cccc(-n2c(N)nc3ccc(F)c(F)c32)c1.
What is the InChIKey of 6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine?
The InChIKey is VEWMAWGKWGDRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-9(2)10-4-3-5-11(8-10)21-15-13(20-16(21)19)7-6-12(17)14(15)18/h3-9H,1-2H3,(H2,19,20).
What are the key properties of 6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine?
6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine has a molecular weight of 287.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 63546227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).