1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine

C14H10BrF2N3O — CID 63598230

IUPAC1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2-c1ccc(Br)cc1F
InChIInChI=1S/C14H10BrF2N3O/c1-21-13-6-12-10(5-9(13)17)19-14(18)20(12)11-3-2-7(15)4-8(11)16/h2-6H,1H3,(H2,18,19)
InChIKeyVRKHAPYDATWGRT-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.66
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine

1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine (PubChem CID 63598230) has the molecular formula C14H10BrF2N3O and a molecular weight of 354.15 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
PubChem CID63598230
Molecular FormulaC14H10BrF2N3O
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2-c1ccc(Br)cc1F
InChIInChI=1S/C14H10BrF2N3O/c1-21-13-6-12-10(5-9(13)17)19-14(18)20(12)11-3-2-7(15)4-8(11)16/h2-6H,1H3,(H2,18,19)
InChIKeyVRKHAPYDATWGRT-UHFFFAOYSA-N
XLogP3.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-chlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598406
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine
CID 63597352
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811
1-(2,6-dibromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107601345
5-fluoro-1-(4-fluoro-2-iodophenyl)-6-methoxybenzimidazol-2-amine
CID 79761482
1-(2-fluorophenyl)-5,6-dimethoxybenzimidazol-2-amine
CID 83003060
1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598050
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291
1-(3-ethyl-1-methylpyrazol-4-yl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107463943
1-(2-bromophenyl)-5,6-dimethoxybenzimidazol-2-amine
CID 83003226
1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552268

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine (CID 63598230) is 1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine is COc1cc2c(cc1F)nc(N)n2-c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The InChIKey is VRKHAPYDATWGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3O/c1-21-13-6-12-10(5-9(13)17)19-14(18)20(12)11-3-2-7(15)4-8(11)16/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine has a molecular weight of 354.15 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine is sourced from PubChem (CID 63598230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).