5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine

C12H13BrFN3O — CID 66087092

IUPAC5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1CC1CCOC1
InChIInChI=1S/C12H13BrFN3O/c13-8-3-10-11(4-9(8)14)17(12(15)16-10)5-7-1-2-18-6-7/h3-4,7H,1-2,5-6H2,(H2,15,16)
InChIKeyWENLAICIMPLVLN-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.56
Rot. Bonds2

About 5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine

5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine (PubChem CID 66087092) has the molecular formula C12H13BrFN3O and a molecular weight of 314.16 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
PubChem CID66087092
Molecular FormulaC12H13BrFN3O
Molecular Weight314.16 g/mol
Exact Mass313.02
IUPAC Name5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1CC1CCOC1
InChIInChI=1S/C12H13BrFN3O/c13-8-3-10-11(4-9(8)14)17(12(15)16-10)5-7-1-2-18-6-7/h3-4,7H,1-2,5-6H2,(H2,15,16)
InChIKeyWENLAICIMPLVLN-UHFFFAOYSA-N
XLogP2.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-chloroethyl)-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazole
CID 66087140
5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 63597894
5-bromo-6-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazol-2-amine
CID 107414278
5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 66077538
5-bromo-1-[(1-ethylpiperidin-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 66088828
5-bromo-6-fluoro-1-(thiolan-2-ylmethyl)benzimidazol-2-amine
CID 80585657
5-bromo-6-fluoro-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 80612265
6,7-difluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 55119012
6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 116738278
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazole
CID 66111998
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(oxolan-3-ylmethyl)benzimidazole
CID 66093448

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine (CID 66087092) is 5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1CC1CCOC1.
What is the InChIKey of 5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is WENLAICIMPLVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3O/c13-8-3-10-11(4-9(8)14)17(12(15)16-10)5-7-1-2-18-6-7/h3-4,7H,1-2,5-6H2,(H2,15,16).
What are the key properties of 5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine?
5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 314.16 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 66087092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).