5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine

C12H15BrFN3 — CID 66086682

IUPAC5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
SMILESCCCCCn1c(N)nc2cc(Br)c(F)cc21
InChIInChI=1S/C12H15BrFN3/c1-2-3-4-5-17-11-7-9(14)8(13)6-10(11)16-12(17)15/h6-7H,2-5H2,1H3,(H2,15,16)
InChIKeyHTEUGFOBRQCMAR-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.71
Rot. Bonds4

About 5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine

5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine (PubChem CID 66086682) has the molecular formula C12H15BrFN3 and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
PubChem CID66086682
Molecular FormulaC12H15BrFN3
Molecular Weight300.18 g/mol
Exact Mass299.04
IUPAC Name5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
SMILESCCCCCn1c(N)nc2cc(Br)c(F)cc21
InChIInChI=1S/C12H15BrFN3/c1-2-3-4-5-17-11-7-9(14)8(13)6-10(11)16-12(17)15/h6-7H,2-5H2,1H3,(H2,15,16)
InChIKeyHTEUGFOBRQCMAR-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine (CID 66086682) is 5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine is CCCCCn1c(N)nc2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine?
The InChIKey is HTEUGFOBRQCMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3/c1-2-3-4-5-17-11-7-9(14)8(13)6-10(11)16-12(17)15/h6-7H,2-5H2,1H3,(H2,15,16).
What are the key properties of 5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine?
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine has a molecular weight of 300.18 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine is sourced from PubChem (CID 66086682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).