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

C14H10BrClFN3O — CID 66077160

IUPAC1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
SMILESCOc1ccc(-n2c(N)nc3cc(Cl)c(F)cc32)cc1Br
InChIInChI=1S/C14H10BrClFN3O/c1-21-13-3-2-7(4-8(13)15)20-12-6-10(17)9(16)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyCGLACRIHRYDAAO-UHFFFAOYSA-N
MW370.61 g/mol
LogP4.17
Rot. Bonds2

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

1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine (PubChem CID 66077160) has the molecular formula C14H10BrClFN3O and a molecular weight of 370.61 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
PubChem CID66077160
Molecular FormulaC14H10BrClFN3O
Molecular Weight370.61 g/mol
Exact Mass368.97
IUPAC Name1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
SMILESCOc1ccc(-n2c(N)nc3cc(Cl)c(F)cc32)cc1Br
InChIInChI=1S/C14H10BrClFN3O/c1-21-13-3-2-7(4-8(13)15)20-12-6-10(17)9(16)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19)
InChIKeyCGLACRIHRYDAAO-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

6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 107622297
1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077330
5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 82859589
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107622311
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 65346975
5-chloro-6-fluoro-1-(3,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66078904
1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 43661963
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine (CID 66077160) is 1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine is COc1ccc(-n2c(N)nc3cc(Cl)c(F)cc32)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
The InChIKey is CGLACRIHRYDAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3O/c1-21-13-3-2-7(4-8(13)15)20-12-6-10(17)9(16)5-11(12)19-14(20)18/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine?
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-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 1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66077160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).