6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine

C15H20BrFN4 — CID 116738278

IUPAC6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
SMILESCC(C)N1CCC(Cn2c(N)nc3cc(F)c(Br)cc32)C1
InChIInChI=1S/C15H20BrFN4/c1-9(2)20-4-3-10(7-20)8-21-14-5-11(16)12(17)6-13(14)19-15(21)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,18,19)
InChIKeyGWCBTUOYXKIUDN-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.25
Rot. Bonds3

About 6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine

6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine (PubChem CID 116738278) has the molecular formula C15H20BrFN4 and a molecular weight of 355.26 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
PubChem CID116738278
Molecular FormulaC15H20BrFN4
Molecular Weight355.26 g/mol
Exact Mass354.09
IUPAC Name6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
SMILESCC(C)N1CCC(Cn2c(N)nc3cc(F)c(Br)cc32)C1
InChIInChI=1S/C15H20BrFN4/c1-9(2)20-4-3-10(7-20)8-21-14-5-11(16)12(17)6-13(14)19-15(21)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,18,19)
InChIKeyGWCBTUOYXKIUDN-UHFFFAOYSA-N
XLogP3.25
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 115470569
5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 66088828
6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 62533222
6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine
CID 116738353
5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine
CID 107414278
6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 116738265
6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine
CID 116738400
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 66087092
2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine
CID 62506736
6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 116738236
5-bromo-6-fluoro-1-(thiolan-2-ylmethyl)benzimidazol-2-amine
CID 80585657

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine (CID 116738278) is 6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine is CC(C)N1CCC(Cn2c(N)nc3cc(F)c(Br)cc32)C1.
What is the InChIKey of 6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The InChIKey is GWCBTUOYXKIUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN4/c1-9(2)20-4-3-10(7-20)8-21-14-5-11(16)12(17)6-13(14)19-15(21)18/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,18,19).
What are the key properties of 6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine has a molecular weight of 355.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 116738278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).