6-bromo-1-tert-butylbenzimidazol-2-amine

C11H14BrN3 — CID 65347259

IUPAC6-bromo-1-tert-butylbenzimidazol-2-amine
SMILESCC(C)(C)n1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C11H14BrN3/c1-11(2,3)15-9-6-7(12)4-5-8(9)14-10(15)13/h4-6H,1-3H3,(H2,13,14)
InChIKeyOYJVUJGHENKNGB-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.14
Rot. Bonds

About 6-bromo-1-tert-butylbenzimidazol-2-amine

6-bromo-1-tert-butylbenzimidazol-2-amine (PubChem CID 65347259) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 6-bromo-1-tert-butylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-tert-butylbenzimidazol-2-amine
PubChem CID65347259
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name6-bromo-1-tert-butylbenzimidazol-2-amine
SMILESCC(C)(C)n1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C11H14BrN3/c1-11(2,3)15-9-6-7(12)4-5-8(9)14-10(15)13/h4-6H,1-3H3,(H2,13,14)
InChIKeyOYJVUJGHENKNGB-UHFFFAOYSA-N
XLogP3.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-(3-ethylpentan-3-yl)benzimidazol-2-amine
CID 65345208
6-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 65347115
5-bromo-1-(2-phenylpropan-2-yl)benzimidazol-2-amine
CID 71116349
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
CID 65347163
5-bromo-2-(1-tert-butylbenzimidazol-2-yl)aniline
CID 60915849
N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
CID 65344577
6-bromo-1-(2-bromo-4-methylphenyl)benzimidazol-2-amine
CID 65346927
6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine
CID 65347408
6-bromo-1-piperidin-1-ylbenzimidazol-2-amine
CID 83019172
6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine
CID 65344571
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-tert-butylbenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-tert-butylbenzimidazol-2-amine (CID 65347259) is 6-bromo-1-tert-butylbenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-tert-butylbenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-tert-butylbenzimidazol-2-amine is CC(C)(C)n1c(N)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-tert-butylbenzimidazol-2-amine?
The InChIKey is OYJVUJGHENKNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-11(2,3)15-9-6-7(12)4-5-8(9)14-10(15)13/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 6-bromo-1-tert-butylbenzimidazol-2-amine?
6-bromo-1-tert-butylbenzimidazol-2-amine has a molecular weight of 268.16 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-tert-butylbenzimidazol-2-amine is sourced from PubChem (CID 65347259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).