2-tert-butylimidazo[1,2-a]benzimidazol-4-amine

C13H16N4 — CID 3615654

IUPAC2-tert-butylimidazo[1,2-a]benzimidazol-4-amine
SMILESCC(C)(C)c1cn2c3ccccc3n(N)c2n1
InChIInChI=1S/C13H16N4/c1-13(2,3)11-8-16-9-6-4-5-7-10(9)17(14)12(16)15-11/h4-8H,14H2,1-3H3
InChIKeyNRQMRFGZUYIELB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.30
Rot. Bonds

About 2-tert-butylimidazo[1,2-a]benzimidazol-4-amine

2-tert-butylimidazo[1,2-a]benzimidazol-4-amine (PubChem CID 3615654) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-tert-butylimidazo[1,2-a]benzimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butylimidazo[1,2-a]benzimidazol-4-amine
PubChem CID3615654
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-tert-butylimidazo[1,2-a]benzimidazol-4-amine
SMILESCC(C)(C)c1cn2c3ccccc3n(N)c2n1
InChIInChI=1S/C13H16N4/c1-13(2,3)11-8-16-9-6-4-5-7-10(9)17(14)12(16)15-11/h4-8H,14H2,1-3H3
InChIKeyNRQMRFGZUYIELB-UHFFFAOYSA-N
XLogP2.30
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylimidazo[1,2-a]benzimidazol-4-amine?
The IUPAC name of 2-tert-butylimidazo[1,2-a]benzimidazol-4-amine (CID 3615654) is 2-tert-butylimidazo[1,2-a]benzimidazol-4-amine.
What is the SMILES notation for 2-tert-butylimidazo[1,2-a]benzimidazol-4-amine?
The canonical SMILES for 2-tert-butylimidazo[1,2-a]benzimidazol-4-amine is CC(C)(C)c1cn2c3ccccc3n(N)c2n1.
What is the InChIKey of 2-tert-butylimidazo[1,2-a]benzimidazol-4-amine?
The InChIKey is NRQMRFGZUYIELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-13(2,3)11-8-16-9-6-4-5-7-10(9)17(14)12(16)15-11/h4-8H,14H2,1-3H3.
What are the key properties of 2-tert-butylimidazo[1,2-a]benzimidazol-4-amine?
2-tert-butylimidazo[1,2-a]benzimidazol-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylimidazo[1,2-a]benzimidazol-4-amine is sourced from PubChem (CID 3615654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).