2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile

C15H10BrFN4 — CID 107799622

IUPAC2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile
SMILESCc1cccc(-n2c(N)nc3cc(Br)c(F)cc32)c1C#N
InChIInChI=1S/C15H10BrFN4/c1-8-3-2-4-13(9(8)7-18)21-14-6-11(17)10(16)5-12(14)20-15(21)19/h2-6H,1H3,(H2,19,20)
InChIKeyKHRXEGQEUMYXIY-UHFFFAOYSA-N
MW345.18 g/mol
LogP3.69
Rot. Bonds1

About 2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile

2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile (PubChem CID 107799622) has the molecular formula C15H10BrFN4 and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile.

Molecular Properties

Compound Name2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile
PubChem CID107799622
Molecular FormulaC15H10BrFN4
Molecular Weight345.18 g/mol
Exact Mass344.01
IUPAC Name2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile
SMILESCc1cccc(-n2c(N)nc3cc(Br)c(F)cc32)c1C#N
InChIInChI=1S/C15H10BrFN4/c1-8-3-2-4-13(9(8)7-18)21-14-6-11(17)10(16)5-12(14)20-15(21)19/h2-6H,1H3,(H2,19,20)
InChIKeyKHRXEGQEUMYXIY-UHFFFAOYSA-N
XLogP3.69
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine
CID 107601324
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
5-bromo-1-(2-bromo-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086880
5-bromo-1-(2,5-difluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66087851
5-bromo-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498
1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 107593060
5-bromo-6-fluoro-1-(4-fluoro-2-iodophenyl)benzimidazol-2-amine
CID 79766831
6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine
CID 116738051
2-amino-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carbonitrile
CID 107593043
5-bromo-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800
6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine
CID 116738105
5-bromo-6-fluoro-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 66088046

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile?
The IUPAC name of 2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile (CID 107799622) is 2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile.
What is the SMILES notation for 2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile?
The canonical SMILES for 2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile is Cc1cccc(-n2c(N)nc3cc(Br)c(F)cc32)c1C#N.
What is the InChIKey of 2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile?
The InChIKey is KHRXEGQEUMYXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN4/c1-8-3-2-4-13(9(8)7-18)21-14-6-11(17)10(16)5-12(14)20-15(21)19/h2-6H,1H3,(H2,19,20).
What are the key properties of 2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile?
2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile has a molecular weight of 345.18 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)-6-methylbenzonitrile is sourced from PubChem (CID 107799622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).