4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole

C15H20N4O — CID 21478631

IUPAC4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole
SMILESCCCc1nnc2n(CCCOC)c3ccccc3n12
InChIInChI=1S/C15H20N4O/c1-3-7-14-16-17-15-18(10-6-11-20-2)12-8-4-5-9-13(12)19(14)15/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyLDEPBNFVMLEVSI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.67
Rot. Bonds6

About 4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole

4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole (PubChem CID 21478631) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole.

Molecular Properties

Compound Name4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole
PubChem CID21478631
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole
SMILESCCCc1nnc2n(CCCOC)c3ccccc3n12
InChIInChI=1S/C15H20N4O/c1-3-7-14-16-17-15-18(10-6-11-20-2)12-8-4-5-9-13(12)19(14)15/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyLDEPBNFVMLEVSI-UHFFFAOYSA-N
XLogP2.67
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole?
The IUPAC name of 4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole (CID 21478631) is 4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole.
What is the SMILES notation for 4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole?
The canonical SMILES for 4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole is CCCc1nnc2n(CCCOC)c3ccccc3n12.
What is the InChIKey of 4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole?
The InChIKey is LDEPBNFVMLEVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-7-14-16-17-15-18(10-6-11-20-2)12-8-4-5-9-13(12)19(14)15/h4-5,8-9H,3,6-7,10-11H2,1-2H3.
What are the key properties of 4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole?
4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole has a molecular weight of 272.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole is sourced from PubChem (CID 21478631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).