5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine

C13H15BrFN3 — CID 66087095

IUPAC5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine
SMILESCC(CC1CC1)n1c(N)nc2cc(Br)c(F)cc21
InChIInChI=1S/C13H15BrFN3/c1-7(4-8-2-3-8)18-12-6-10(15)9(14)5-11(12)17-13(18)16/h5-8H,2-4H2,1H3,(H2,16,17)
InChIKeyNKXZRASRZGQCBQ-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.88
Rot. Bonds3

About 5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine

5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine (PubChem CID 66087095) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine
PubChem CID66087095
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine
SMILESCC(CC1CC1)n1c(N)nc2cc(Br)c(F)cc21
InChIInChI=1S/C13H15BrFN3/c1-7(4-8-2-3-8)18-12-6-10(15)9(14)5-11(12)17-13(18)16/h5-8H,2-4H2,1H3,(H2,16,17)
InChIKeyNKXZRASRZGQCBQ-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 66086898
6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
CID 116738302
6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 116738290
5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine
CID 107414278
5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66085937
5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole
CID 66088892
5-chloro-2-(2-chloroethyl)-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazole
CID 66111033
5-bromo-6-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 66088258
5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66087858
5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 66088828
5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 66088261
5-bromo-2-(1-chloroethyl)-1-(1-cyclopentylethyl)-6-fluorobenzimidazole
CID 66087724

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine (CID 66087095) is 5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine is CC(CC1CC1)n1c(N)nc2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine?
The InChIKey is NKXZRASRZGQCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-7(4-8-2-3-8)18-12-6-10(15)9(14)5-11(12)17-13(18)16/h5-8H,2-4H2,1H3,(H2,16,17).
What are the key properties of 5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine?
5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine has a molecular weight of 312.19 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66087095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).