1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine

C14H10F3N3O — CID 60789832

IUPAC1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H10F3N3O/c15-10-2-1-3-11-12(10)19-14(18)20(11)8-4-6-9(7-5-8)21-13(16)17/h1-7,13H,(H2,18,19)
InChIKeyUCJUIPSBNFHIAQ-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.35
Rot. Bonds3

About 1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine

1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine (PubChem CID 60789832) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine
PubChem CID60789832
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H10F3N3O/c15-10-2-1-3-11-12(10)19-14(18)20(11)8-4-6-9(7-5-8)21-13(16)17/h1-7,13H,(H2,18,19)
InChIKeyUCJUIPSBNFHIAQ-UHFFFAOYSA-N
XLogP3.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine (CID 60789832) is 1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine is Nc1nc2c(F)cccc2n1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine?
The InChIKey is UCJUIPSBNFHIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-10-2-1-3-11-12(10)19-14(18)20(11)8-4-6-9(7-5-8)21-13(16)17/h1-7,13H,(H2,18,19).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine?
1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine has a molecular weight of 293.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 60789832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).