1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine

C₁₄H₂₂N₄ — CID 115144217

About 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine

1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine (PubChem CID 115144217) has the molecular formula C₁₄H₂₂N₄ and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine.

Molecular Properties

• Compound Name: 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine
• PubChem CID: 115144217
• Molecular Formula: C₁₄H₂₂N₄
• Molecular Weight: 246.36 g/mol
• Exact Mass: 246.18
• IUPAC Name: 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine
• SMILES: Cc1ccc2c(c1)nc(N(C)C(C)C)n2CCN
• InChI: InChI=1S/C14H22N4/c1-10(2)17(4)14-16-12-9-11(3)5-6-13(12)18(14)8-7-15/h5-6,9-10H,7-8,15H2,1-4H3
• InChIKey: KFYCKVZTXHGZEC-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 47.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	246.36
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine?

The IUPAC name of 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine (CID 115144217) is 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine.

What is the SMILES notation for 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine?

The canonical SMILES for 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine is Cc1ccc2c(c1)nc(N(C)C(C)C)n2CCN.

What is the InChIKey of 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine?

The InChIKey is KFYCKVZTXHGZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10(2)17(4)14-16-12-9-11(3)5-6-13(12)18(14)8-7-15/h5-6,9-10H,7-8,15H2,1-4H3.

What are the key properties of 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine?

1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-aminoethyl)-N,5-dimethyl-N-propan-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 115144217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115144217 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.