2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine

C13H19N3 — CID 79798999

IUPAC2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C13H19N3/c1-5-13(4,14)12-15-10-6-8(2)9(3)7-11(10)16-12/h6-7H,5,14H2,1-4H3,(H,15,16)
InChIKeyXZXUZELGIPGQRK-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.76
Rot. Bonds2

About 2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine

2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine (PubChem CID 79798999) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine
PubChem CID79798999
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2cc(C)c(C)cc2[nH]1
InChIInChI=1S/C13H19N3/c1-5-13(4,14)12-15-10-6-8(2)9(3)7-11(10)16-12/h6-7H,5,14H2,1-4H3,(H,15,16)
InChIKeyXZXUZELGIPGQRK-UHFFFAOYSA-N
XLogP2.76
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine?
The IUPAC name of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine (CID 79798999) is 2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine is CCC(C)(N)c1nc2cc(C)c(C)cc2[nH]1.
What is the InChIKey of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine?
The InChIKey is XZXUZELGIPGQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-13(4,14)12-15-10-6-8(2)9(3)7-11(10)16-12/h6-7H,5,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine?
2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 79798999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).