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

C10H11BrFN3 — CID 66088233

IUPAC5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
SMILESCCCn1c(N)nc2cc(Br)c(F)cc21
InChIInChI=1S/C10H11BrFN3/c1-2-3-15-9-5-7(12)6(11)4-8(9)14-10(15)13/h4-5H,2-3H2,1H3,(H2,13,14)
InChIKeyCYWRYCSIMCVZLG-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.93
Rot. Bonds2

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

5-bromo-6-fluoro-1-propylbenzimidazol-2-amine (PubChem CID 66088233) has the molecular formula C10H11BrFN3 and a molecular weight of 272.12 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-propylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
PubChem CID66088233
Molecular FormulaC10H11BrFN3
Molecular Weight272.12 g/mol
Exact Mass271.01
IUPAC Name5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
SMILESCCCn1c(N)nc2cc(Br)c(F)cc21
InChIInChI=1S/C10H11BrFN3/c1-2-3-15-9-5-7(12)6(11)4-8(9)14-10(15)13/h4-5H,2-3H2,1H3,(H2,13,14)
InChIKeyCYWRYCSIMCVZLG-UHFFFAOYSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-propylbenzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-propylbenzimidazol-2-amine (CID 66088233) is 5-bromo-6-fluoro-1-propylbenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-propylbenzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-propylbenzimidazol-2-amine is CCCn1c(N)nc2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-6-fluoro-1-propylbenzimidazol-2-amine?
The InChIKey is CYWRYCSIMCVZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3/c1-2-3-15-9-5-7(12)6(11)4-8(9)14-10(15)13/h4-5H,2-3H2,1H3,(H2,13,14).
What are the key properties of 5-bromo-6-fluoro-1-propylbenzimidazol-2-amine?
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine has a molecular weight of 272.12 g/mol, XLogP of 2.93, 2 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-propylbenzimidazol-2-amine is sourced from PubChem (CID 66088233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).