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

C15H13BrFN3O — CID 116738009

IUPAC6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
SMILESCOc1ccccc1Cn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H13BrFN3O/c1-21-14-5-3-2-4-9(14)8-20-13-6-10(16)11(17)7-12(13)19-15(20)18/h2-7H,8H2,1H3,(H2,18,19)
InChIKeyHKIYZLHWRYPPMO-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.58
Rot. Bonds3

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

6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine (PubChem CID 116738009) has the molecular formula C15H13BrFN3O and a molecular weight of 350.19 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
PubChem CID116738009
Molecular FormulaC15H13BrFN3O
Molecular Weight350.19 g/mol
Exact Mass349.02
IUPAC Name6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
SMILESCOc1ccccc1Cn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H13BrFN3O/c1-21-14-5-3-2-4-9(14)8-20-13-6-10(16)11(17)7-12(13)19-15(20)18/h2-7H,8H2,1H3,(H2,18,19)
InChIKeyHKIYZLHWRYPPMO-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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Related Compounds

5-bromo-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661491
5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66086491
6-bromo-1-[[2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylbenzimidazole
CID 118108433
1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101772
5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
CID 116737993
5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 66087655
1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101204
2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile
CID 82359162
6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
CID 116738217
6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
CID 103462895
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine (CID 116738009) is 6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine is COc1ccccc1Cn1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine?
The InChIKey is HKIYZLHWRYPPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O/c1-21-14-5-3-2-4-9(14)8-20-13-6-10(16)11(17)7-12(13)19-15(20)18/h2-7H,8H2,1H3,(H2,18,19).
What are the key properties of 6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine?
6-bromo-5-fluoro-1-[(2-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 6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 116738009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).