5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine

C14H11BrFN3O — CID 114840220

IUPAC5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3cc(Br)ccc32)ccc1F
InChIInChI=1S/C14H11BrFN3O/c1-20-13-7-9(3-4-10(13)16)19-12-5-2-8(15)6-11(12)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyKYPWMPAGWMIIEF-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.52
Rot. Bonds2

About 5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine

5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine (PubChem CID 114840220) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is 5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
PubChem CID114840220
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
SMILESCOc1cc(-n2c(N)nc3cc(Br)ccc32)ccc1F
InChIInChI=1S/C14H11BrFN3O/c1-20-13-7-9(3-4-10(13)16)19-12-5-2-8(15)6-11(12)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyKYPWMPAGWMIIEF-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

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Related Compounds

1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811
1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine
CID 114840209
1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 43661963
5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 43661850
5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 82859589
1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598230
6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 107622297
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077160
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
CID 43661750
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 65346975

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine (CID 114840220) is 5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine is COc1cc(-n2c(N)nc3cc(Br)ccc32)ccc1F.
What is the InChIKey of 5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine?
The InChIKey is KYPWMPAGWMIIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c1-20-13-7-9(3-4-10(13)16)19-12-5-2-8(15)6-11(12)18-14(19)17/h2-7H,1H3,(H2,17,18).
What are the key properties of 5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine?
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-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 5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine is sourced from PubChem (CID 114840220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).