3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole

C14H15N3O — CID 44577928

IUPAC3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole
SMILESCOCCCc1cnc2nc3ccccc3n2c1
InChIInChI=1S/C14H15N3O/c1-18-8-4-5-11-9-15-14-16-12-6-2-3-7-13(12)17(14)10-11/h2-3,6-7,9-10H,4-5,8H2,1H3
InChIKeyZUOIFKVQFLIHDC-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.46
Rot. Bonds4

About 3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole

3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole (PubChem CID 44577928) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole
PubChem CID44577928
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole
SMILESCOCCCc1cnc2nc3ccccc3n2c1
InChIInChI=1S/C14H15N3O/c1-18-8-4-5-11-9-15-14-16-12-6-2-3-7-13(12)17(14)10-11/h2-3,6-7,9-10H,4-5,8H2,1H3
InChIKeyZUOIFKVQFLIHDC-UHFFFAOYSA-N
XLogP2.46
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole 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 3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole?
The IUPAC name of 3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole (CID 44577928) is 3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole is COCCCc1cnc2nc3ccccc3n2c1.
What is the InChIKey of 3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole?
The InChIKey is ZUOIFKVQFLIHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-8-4-5-11-9-15-14-16-12-6-2-3-7-13(12)17(14)10-11/h2-3,6-7,9-10H,4-5,8H2,1H3.
What are the key properties of 3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole?
3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole has a molecular weight of 241.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 44577928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).