2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine

C13H19N3 — CID 81456064

IUPAC2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2cccc(C)c2n1C
InChIInChI=1S/C13H19N3/c1-5-13(3,14)12-15-10-8-6-7-9(2)11(10)16(12)4/h6-8H,5,14H2,1-4H3
InChIKeyYAZHFDSTLBLUPY-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.47
Rot. Bonds2

About 2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine

2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine (PubChem CID 81456064) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine
PubChem CID81456064
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2cccc(C)c2n1C
InChIInChI=1S/C13H19N3/c1-5-13(3,14)12-15-10-8-6-7-9(2)11(10)16(12)4/h6-8H,5,14H2,1-4H3
InChIKeyYAZHFDSTLBLUPY-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine?
The IUPAC name of 2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine (CID 81456064) is 2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine is CCC(C)(N)c1nc2cccc(C)c2n1C.
What is the InChIKey of 2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine?
The InChIKey is YAZHFDSTLBLUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-13(3,14)12-15-10-8-6-7-9(2)11(10)16(12)4/h6-8H,5,14H2,1-4H3.
What are the key properties of 2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine?
2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,7-dimethylbenzimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 81456064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).