1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine

C14H11BrFN3O — CID 63599811

IUPAC1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2-c1ccc(Br)cc1
InChIInChI=1S/C14H11BrFN3O/c1-20-13-7-12-11(6-10(13)16)18-14(17)19(12)9-4-2-8(15)3-5-9/h2-7H,1H3,(H2,17,18)
InChIKeyGSIJEVLCFBRMTN-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.52
Rot. Bonds2

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

1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine (PubChem CID 63599811) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
PubChem CID63599811
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2-c1ccc(Br)cc1
InChIInChI=1S/C14H11BrFN3O/c1-20-13-7-12-11(6-10(13)16)18-14(17)19(12)9-4-2-8(15)3-5-9/h2-7H,1H3,(H2,17,18)
InChIKeyGSIJEVLCFBRMTN-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-bromophenyl)-5-fluoro-6-methoxybenzimidazol-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

1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598230
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
1-(4-bromo-2-chlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598406
1-(2,6-dibromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107601345
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077160
5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 82859589
6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 107622297
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine
CID 63597352
5,6-dimethoxy-1-phenylbenzimidazol-2-amine
CID 83008746
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 65346975
1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598050

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine (CID 63599811) is 1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine is COc1cc2c(cc1F)nc(N)n2-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The InChIKey is GSIJEVLCFBRMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c1-20-13-7-12-11(6-10(13)16)18-14(17)19(12)9-4-2-8(15)3-5-9/h2-7H,1H3,(H2,17,18).
What are the key properties of 1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-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-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine is sourced from PubChem (CID 63599811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).