5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine

C14H11ClFN3 — CID 66077135

IUPAC5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(-n2c(N)nc3cc(Cl)c(F)cc32)cc1
InChIInChI=1S/C14H11ClFN3/c1-8-2-4-9(5-3-8)19-13-7-11(16)10(15)6-12(13)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyUTIZLGDUCAFXMT-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.71
Rot. Bonds1

About 5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine

5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine (PubChem CID 66077135) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
PubChem CID66077135
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
SMILESCc1ccc(-n2c(N)nc3cc(Cl)c(F)cc32)cc1
InChIInChI=1S/C14H11ClFN3/c1-8-2-4-9(5-3-8)19-13-7-11(16)10(15)6-12(13)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyUTIZLGDUCAFXMT-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine
CID 66076552
1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077330
5-chloro-6-fluoro-1-(3,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66078904
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077160
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502
6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine
CID 114089451
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
CID 65347163
5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine
CID 66077324
1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 107593060
1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107622311
1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine
CID 83087950
6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine
CID 65347263

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine (CID 66077135) is 5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine is Cc1ccc(-n2c(N)nc3cc(Cl)c(F)cc32)cc1.
What is the InChIKey of 5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine?
The InChIKey is UTIZLGDUCAFXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-8-2-4-9(5-3-8)19-13-7-11(16)10(15)6-12(13)18-14(19)17/h2-7H,1H3,(H2,17,18).
What are the key properties of 5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine?
5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine has a molecular weight of 275.71 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 66077135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).