2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole

C18H16N4O2 — CID 780051

IUPAC2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole
SMILESCCCn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc12
InChIInChI=1S/C18H16N4O2/c1-2-11-20-16-5-3-4-6-17(16)21-12-15(19-18(20)21)13-7-9-14(10-8-13)22(23)24/h3-10,12H,2,11H2,1H3
InChIKeyYCOFIHYGIRCHDT-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.27
Rot. Bonds4

About 2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole

2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole (PubChem CID 780051) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole
PubChem CID780051
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole
SMILESCCCn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc12
InChIInChI=1S/C18H16N4O2/c1-2-11-20-16-5-3-4-6-17(16)21-12-15(19-18(20)21)13-7-9-14(10-8-13)22(23)24/h3-10,12H,2,11H2,1H3
InChIKeyYCOFIHYGIRCHDT-UHFFFAOYSA-N
XLogP4.27
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole?
The IUPAC name of 2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole (CID 780051) is 2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole?
The canonical SMILES for 2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole is CCCn1c2ccccc2n2cc(-c3ccc([N+](=O)[O-])cc3)nc12.
What is the InChIKey of 2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole?
The InChIKey is YCOFIHYGIRCHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-11-20-16-5-3-4-6-17(16)21-12-15(19-18(20)21)13-7-9-14(10-8-13)22(23)24/h3-10,12H,2,11H2,1H3.
What are the key properties of 2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole?
2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole has a molecular weight of 320.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 780051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).