1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine

C13H7ClF3N3 — CID 62532885

IUPAC1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine
SMILESNc1nc2ccc(F)c(F)c2n1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H7ClF3N3/c14-7-2-1-6(5-9(7)16)20-12-10(19-13(20)18)4-3-8(15)11(12)17/h1-5H,(H2,18,19)
InChIKeyBXDWADDFJQZPGU-UHFFFAOYSA-N
MW297.67 g/mol
LogP3.68
Rot. Bonds1

About 1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine

1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine (PubChem CID 62532885) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine
PubChem CID62532885
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine
SMILESNc1nc2ccc(F)c(F)c2n1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H7ClF3N3/c14-7-2-1-6(5-9(7)16)20-12-10(19-13(20)18)4-3-8(15)11(12)17/h1-5H,(H2,18,19)
InChIKeyBXDWADDFJQZPGU-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine (CID 62532885) is 1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine is Nc1nc2ccc(F)c(F)c2n1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine?
The InChIKey is BXDWADDFJQZPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-7-2-1-6(5-9(7)16)20-12-10(19-13(20)18)4-3-8(15)11(12)17/h1-5H,(H2,18,19).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine?
1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine has a molecular weight of 297.67 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-6,7-difluorobenzimidazol-2-amine is sourced from PubChem (CID 62532885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).