1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate

C17H22N4O2 — CID 54334457

IUPAC1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCC(OC(=O)c1c(C)nc2n(C)c3ccccc3n12)N(C)C
InChIInChI=1S/C17H22N4O2/c1-6-14(19(3)4)23-16(22)15-11(2)18-17-20(5)12-9-7-8-10-13(12)21(15)17/h7-10,14H,6H2,1-5H3
InChIKeyTULSSURJFWZPQI-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.59
Rot. Bonds4

About 1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate

1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate (PubChem CID 54334457) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate.

Molecular Properties

Compound Name1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate
PubChem CID54334457
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate
SMILESCCC(OC(=O)c1c(C)nc2n(C)c3ccccc3n12)N(C)C
InChIInChI=1S/C17H22N4O2/c1-6-14(19(3)4)23-16(22)15-11(2)18-17-20(5)12-9-7-8-10-13(12)21(15)17/h7-10,14H,6H2,1-5H3
InChIKeyTULSSURJFWZPQI-UHFFFAOYSA-N
XLogP2.59
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate 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 1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate?
The IUPAC name of 1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate (CID 54334457) is 1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate.
What is the SMILES notation for 1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate?
The canonical SMILES for 1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate is CCC(OC(=O)c1c(C)nc2n(C)c3ccccc3n12)N(C)C.
What is the InChIKey of 1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate?
The InChIKey is TULSSURJFWZPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-6-14(19(3)4)23-16(22)15-11(2)18-17-20(5)12-9-7-8-10-13(12)21(15)17/h7-10,14H,6H2,1-5H3.
What are the key properties of 1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate?
1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propyl 2,4-dimethylimidazo[1,2-a]benzimidazole-1-carboxylate is sourced from PubChem (CID 54334457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).