5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine

C15H13BrFN3O — CID 66086489

IUPAC5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
SMILESCOc1ccc(Cn2c(N)nc3cc(Br)c(F)cc32)cc1
InChIInChI=1S/C15H13BrFN3O/c1-21-10-4-2-9(3-5-10)8-20-14-7-12(17)11(16)6-13(14)19-15(20)18/h2-7H,8H2,1H3,(H2,18,19)
InChIKeyBNJFPOWOFVUOGQ-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.58
Rot. Bonds3

About 5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine

5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine (PubChem CID 66086489) has the molecular formula C15H13BrFN3O and a molecular weight of 350.19 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
PubChem CID66086489
Molecular FormulaC15H13BrFN3O
Molecular Weight350.19 g/mol
Exact Mass349.02
IUPAC Name5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
SMILESCOc1ccc(Cn2c(N)nc3cc(Br)c(F)cc32)cc1
InChIInChI=1S/C15H13BrFN3O/c1-21-10-4-2-9(3-5-10)8-20-14-7-12(17)11(16)6-13(14)19-15(20)18/h2-7H,8H2,1H3,(H2,18,19)
InChIKeyBNJFPOWOFVUOGQ-UHFFFAOYSA-N
XLogP3.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine (CID 66086489) is 5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine is COc1ccc(Cn2c(N)nc3cc(Br)c(F)cc32)cc1.
What is the InChIKey of 5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
The InChIKey is BNJFPOWOFVUOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O/c1-21-10-4-2-9(3-5-10)8-20-14-7-12(17)11(16)6-13(14)19-15(20)18/h2-7H,8H2,1H3,(H2,18,19).
What are the key properties of 5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine?
5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine has a molecular weight of 350.19 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 66086489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).