1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine

C14H11BrFN3 — CID 82766861

IUPAC1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine
SMILESCc1ccc(Br)c(-n2c(N)nc3cc(F)ccc32)c1
InChIInChI=1S/C14H11BrFN3/c1-8-2-4-10(15)13(6-8)19-12-5-3-9(16)7-11(12)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyGJHDNJZZBXRSSH-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.82
Rot. Bonds1

About 1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine

1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine (PubChem CID 82766861) has the molecular formula C14H11BrFN3 and a molecular weight of 320.17 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine
PubChem CID82766861
Molecular FormulaC14H11BrFN3
Molecular Weight320.17 g/mol
Exact Mass319.01
IUPAC Name1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine
SMILESCc1ccc(Br)c(-n2c(N)nc3cc(F)ccc32)c1
InChIInChI=1S/C14H11BrFN3/c1-8-2-4-10(15)13(6-8)19-12-5-3-9(16)7-11(12)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyGJHDNJZZBXRSSH-UHFFFAOYSA-N
XLogP3.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methylphenyl)-5-chlorobenzimidazol-2-amine
CID 82766158
1-(2-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 82766702
6-bromo-1-(2,5-dimethylphenyl)-5-fluorobenzimidazol-2-amine
CID 116738051
1-(2-bromo-5-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107638114
1-(2-fluoro-5-methylphenyl)-5-iodobenzimidazol-2-amine
CID 66081783
1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine
CID 107637274
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
1-(4-chloro-2-fluorophenyl)-5-methylbenzimidazol-2-amine
CID 61472339
5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine
CID 43661747
3-(2-bromo-5-fluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 107637413
5-methyl-1-(2-methylphenyl)benzimidazol-2-amine
CID 43661880
1-(4-bromophenyl)-5-methylbenzimidazol-2-amine
CID 43661852

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine (CID 82766861) is 1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine is Cc1ccc(Br)c(-n2c(N)nc3cc(F)ccc32)c1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is GJHDNJZZBXRSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3/c1-8-2-4-10(15)13(6-8)19-12-5-3-9(16)7-11(12)18-14(19)17/h2-7H,1H3,(H2,17,18).
What are the key properties of 1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine?
1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 320.17 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 82766861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).