2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine

C12H16BrN3 — CID 84642999

IUPAC2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine
SMILESCc1cc(Br)c2nc(C(C)(C)N)n(C)c2c1
InChIInChI=1S/C12H16BrN3/c1-7-5-8(13)10-9(6-7)16(4)11(15-10)12(2,3)14/h5-6H,14H2,1-4H3
InChIKeyXXSNUTUPEXHLRN-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.84
Rot. Bonds1

About 2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine

2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine (PubChem CID 84642999) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine
PubChem CID84642999
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine
SMILESCc1cc(Br)c2nc(C(C)(C)N)n(C)c2c1
InChIInChI=1S/C12H16BrN3/c1-7-5-8(13)10-9(6-7)16(4)11(15-10)12(2,3)14/h5-6H,14H2,1-4H3
InChIKeyXXSNUTUPEXHLRN-UHFFFAOYSA-N
XLogP2.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine?
The IUPAC name of 2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine (CID 84642999) is 2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine is Cc1cc(Br)c2nc(C(C)(C)N)n(C)c2c1.
What is the InChIKey of 2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine?
The InChIKey is XXSNUTUPEXHLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c1-7-5-8(13)10-9(6-7)16(4)11(15-10)12(2,3)14/h5-6H,14H2,1-4H3.
What are the key properties of 2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine?
2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine has a molecular weight of 282.19 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 84642999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).