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

C14H11BrFN3O — CID 82859398

IUPAC1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3c(F)cccc32)ccc1Br
InChIInChI=1S/C14H11BrFN3O/c1-20-12-7-8(5-6-9(12)15)19-11-4-2-3-10(16)13(11)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyJIZYTJCUOFSFHK-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.52
Rot. Bonds2

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

1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine (PubChem CID 82859398) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine
PubChem CID82859398
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3c(F)cccc32)ccc1Br
InChIInChI=1S/C14H11BrFN3O/c1-20-12-7-8(5-6-9(12)15)19-11-4-2-3-10(16)13(11)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyJIZYTJCUOFSFHK-UHFFFAOYSA-N
XLogP3.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 82859589
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457
1-(4-bromo-3-methoxyphenyl)-6,7-difluorobenzimidazol-2-amine
CID 82859399
1-(5-bromo-2,4-difluorophenyl)-4-methoxybenzimidazol-2-amine
CID 102854268
1-(2-bromo-5-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 81275061
4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 104836895
1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine
CID 60789832
1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107575936
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 107622297
1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine
CID 61075406
2-amino-1-(4-chloro-3-methoxyphenyl)benzimidazole-4-carbonitrile
CID 107622292

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine (CID 82859398) is 1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine is COc1cc(-n2c(N)nc3c(F)cccc32)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine?
The InChIKey is JIZYTJCUOFSFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c1-20-12-7-8(5-6-9(12)15)19-11-4-2-3-10(16)13(11)18-14(19)17/h2-7H,1H3,(H2,17,18).
What are the key properties of 1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine?
1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine has a molecular weight of 336.16 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 82859398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).