5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine

C13H18BrN3 — CID 54950603

IUPAC5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine
SMILESCCC(C)C(C)n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C13H18BrN3/c1-4-8(2)9(3)17-12-6-5-10(14)7-11(12)16-13(17)15/h5-9H,4H2,1-3H3,(H2,15,16)
InChIKeyFVIOQQRJLNJHKR-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.99
Rot. Bonds3

About 5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine

5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine (PubChem CID 54950603) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine
PubChem CID54950603
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine
SMILESCCC(C)C(C)n1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C13H18BrN3/c1-4-8(2)9(3)17-12-6-5-10(14)7-11(12)16-13(17)15/h5-9H,4H2,1-3H3,(H2,15,16)
InChIKeyFVIOQQRJLNJHKR-UHFFFAOYSA-N
XLogP3.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-chloroethyl)-1-(3-methylpentan-2-yl)benzimidazole
CID 63545579
5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 43661479
5-bromo-1-(1-methylsulfinylpropan-2-yl)benzimidazol-2-amine
CID 113486569
1-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)-2-methylbutan-1-amine
CID 60783637
1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62506902
5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 43662122
5-bromo-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
CID 62843687
ethyl 2-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)butanoate
CID 79480803
1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501988
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938
6-bromo-3-(3-methylpentan-2-yl)-1H-benzimidazole-2-thione
CID 63547096
5-methoxy-1-(1-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113494963

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine (CID 54950603) is 5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine is CCC(C)C(C)n1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine?
The InChIKey is FVIOQQRJLNJHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c1-4-8(2)9(3)17-12-6-5-10(14)7-11(12)16-13(17)15/h5-9H,4H2,1-3H3,(H2,15,16).
What are the key properties of 5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine?
5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine has a molecular weight of 296.21 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-methylpentan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 54950603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).