1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine

C14H11BrFN3 — CID 58564987

IUPAC1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine
SMILESNc1nc2ccc(F)cc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C14H11BrFN3/c15-10-3-1-9(2-4-10)8-19-13-7-11(16)5-6-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
InChIKeyWYBKXLVUJBIETJ-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.57
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine

1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine (PubChem CID 58564987) has the molecular formula C14H11BrFN3 and a molecular weight of 320.17 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine
PubChem CID58564987
Molecular FormulaC14H11BrFN3
Molecular Weight320.17 g/mol
Exact Mass319.01
IUPAC Name1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine
SMILESNc1nc2ccc(F)cc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C14H11BrFN3/c15-10-3-1-9(2-4-10)8-19-13-7-11(16)5-6-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
InChIKeyWYBKXLVUJBIETJ-UHFFFAOYSA-N
XLogP3.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine (CID 58564987) is 1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine is Nc1nc2ccc(F)cc2n1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine?
The InChIKey is WYBKXLVUJBIETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3/c15-10-3-1-9(2-4-10)8-19-13-7-11(16)5-6-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18).
What are the key properties of 1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine?
1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine has a molecular weight of 320.17 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 58564987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).