6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine

C15H13F2N3 — CID 62531704

IUPAC6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(F)c(F)c2n1CCc1ccccc1
InChIInChI=1S/C15H13F2N3/c16-11-6-7-12-14(13(11)17)20(15(18)19-12)9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,18,19)
InChIKeyIMZFYYGBVAFQDC-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.14
Rot. Bonds3

About 6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine

6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine (PubChem CID 62531704) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine
PubChem CID62531704
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine
SMILESNc1nc2ccc(F)c(F)c2n1CCc1ccccc1
InChIInChI=1S/C15H13F2N3/c16-11-6-7-12-14(13(11)17)20(15(18)19-12)9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,18,19)
InChIKeyIMZFYYGBVAFQDC-UHFFFAOYSA-N
XLogP3.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.14
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-(2-phenylethyl)benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine (CID 62531704) is 6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine is Nc1nc2ccc(F)c(F)c2n1CCc1ccccc1.
What is the InChIKey of 6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine?
The InChIKey is IMZFYYGBVAFQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c16-11-6-7-12-14(13(11)17)20(15(18)19-12)9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,18,19).
What are the key properties of 6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine?
6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine has a molecular weight of 273.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(2-phenylethyl)benzimidazol-2-amine is sourced from PubChem (CID 62531704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).