1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine

C14H10BrF2N3O — CID 102854268

IUPAC1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2-c1cc(Br)c(F)cc1F
InChIInChI=1S/C14H10BrF2N3O/c1-21-12-4-2-3-10-13(12)19-14(18)20(10)11-5-7(15)8(16)6-9(11)17/h2-6H,1H3,(H2,18,19)
InChIKeyQZENITDBKURXIN-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.66
Rot. Bonds2

About 1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine

1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine (PubChem CID 102854268) has the molecular formula C14H10BrF2N3O and a molecular weight of 354.15 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine
PubChem CID102854268
Molecular FormulaC14H10BrF2N3O
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine
SMILESCOc1cccc2c1nc(N)n2-c1cc(Br)c(F)cc1F
InChIInChI=1S/C14H10BrF2N3O/c1-21-12-4-2-3-10-13(12)19-14(18)20(10)11-5-7(15)8(16)6-9(11)17/h2-6H,1H3,(H2,18,19)
InChIKeyQZENITDBKURXIN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637238
1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107575936
1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine
CID 82859398
1-(2-chloro-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107637295
6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854258
5-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854236
2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 107593043
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
1-(2,6-dibromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107601345
1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107613935
1-(2-bromo-5-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 81275061
1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598230

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine (CID 102854268) is 1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine is COc1cccc2c1nc(N)n2-c1cc(Br)c(F)cc1F.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine?
The InChIKey is QZENITDBKURXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3O/c1-21-12-4-2-3-10-13(12)19-14(18)20(10)11-5-7(15)8(16)6-9(11)17/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine?
1-(5-bromo-2,4-difluorophenyl)-4-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-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine is sourced from PubChem (CID 102854268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).