5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine

C14H10Br2FN3O — CID 82859589

IUPAC5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3cc(Br)c(F)cc32)ccc1Br
InChIInChI=1S/C14H10Br2FN3O/c1-21-13-4-7(2-3-8(13)15)20-12-6-10(17)9(16)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyXUSZFKSGXDPANI-UHFFFAOYSA-N
MW415.06 g/mol
LogP4.28
Rot. Bonds2

About 5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine

5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine (PubChem CID 82859589) has the molecular formula C14H10Br2FN3O and a molecular weight of 415.06 g/mol. Its IUPAC name is 5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
PubChem CID82859589
Molecular FormulaC14H10Br2FN3O
Molecular Weight415.06 g/mol
Exact Mass412.92
IUPAC Name5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3cc(Br)c(F)cc32)ccc1Br
InChIInChI=1S/C14H10Br2FN3O/c1-21-13-4-7(2-3-8(13)15)20-12-6-10(17)9(16)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyXUSZFKSGXDPANI-UHFFFAOYSA-N
XLogP4.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.06
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine (CID 82859589) is 5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine is COc1cc(-n2c(N)nc3cc(Br)c(F)cc32)ccc1Br.
What is the InChIKey of 5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is XUSZFKSGXDPANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FN3O/c1-21-13-4-7(2-3-8(13)15)20-12-6-10(17)9(16)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine?
5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 415.06 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 82859589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).