6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine

C14H10BrClFN3O — CID 107622297

IUPAC6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3cc(F)c(Br)cc32)ccc1Cl
InChIInChI=1S/C14H10BrClFN3O/c1-21-13-4-7(2-3-9(13)16)20-12-5-8(15)10(17)6-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyWLEDSSMPUMNTFN-UHFFFAOYSA-N
MW370.61 g/mol
LogP4.17
Rot. Bonds2

About 6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine

6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine (PubChem CID 107622297) has the molecular formula C14H10BrClFN3O and a molecular weight of 370.61 g/mol. Its IUPAC name is 6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine
PubChem CID107622297
Molecular FormulaC14H10BrClFN3O
Molecular Weight370.61 g/mol
Exact Mass368.97
IUPAC Name6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3cc(F)c(Br)cc32)ccc1Cl
InChIInChI=1S/C14H10BrClFN3O/c1-21-13-4-7(2-3-9(13)16)20-12-5-8(15)10(17)6-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyWLEDSSMPUMNTFN-UHFFFAOYSA-N
XLogP4.17
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107622311
5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 82859589
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077160
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 65346975
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-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077330
6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 116738082
1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598050
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956
1-(4-bromo-2-chlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598406

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine (CID 107622297) is 6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine is COc1cc(-n2c(N)nc3cc(F)c(Br)cc32)ccc1Cl.
What is the InChIKey of 6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is WLEDSSMPUMNTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3O/c1-21-13-4-7(2-3-9(13)16)20-12-5-8(15)10(17)6-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine?
6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 370.61 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 107622297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).