5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine

C11H14BrN3O — CID 43661479

IUPAC5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
SMILESCOCC(C)n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C11H14BrN3O/c1-7(6-16-2)15-10-4-3-8(12)5-9(10)14-11(15)13/h3-5,7H,6H2,1-2H3,(H2,13,14)
InChIKeyANSGZYQZYKQGDX-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.59
Rot. Bonds3

About 5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine

5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine (PubChem CID 43661479) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
PubChem CID43661479
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
SMILESCOCC(C)n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C11H14BrN3O/c1-7(6-16-2)15-10-4-3-8(12)5-9(10)14-11(15)13/h3-5,7H,6H2,1-2H3,(H2,13,14)
InChIKeyANSGZYQZYKQGDX-UHFFFAOYSA-N
XLogP2.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 66081185
5-bromo-2-(chloromethyl)-1-(1-methoxypropan-2-yl)benzimidazole
CID 43660026
5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine
CID 113486569
5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine
CID 54950603
2-[5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 43661278
1-(1-methoxypropan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507197
5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 43662122
5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine
CID 141375297
5-bromo-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
CID 62843687
6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 55086320
5-bromo-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661491
5-bromo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine (CID 43661479) is 5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine is COCC(C)n1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine?
The InChIKey is ANSGZYQZYKQGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-7(6-16-2)15-10-4-3-8(12)5-9(10)14-11(15)13/h3-5,7H,6H2,1-2H3,(H2,13,14).
What are the key properties of 5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine?
5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine has a molecular weight of 284.16 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 43661479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).