2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C24H25N7O — CID 20880408

IUPAC2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCC3CCCO3)n2n1
InChIInChI=1S/C24H25N7O/c1-16-26-20-10-4-5-11-21(20)30(16)13-12-22-28-23-18-8-2-3-9-19(18)27-24(31(23)29-22)25-15-17-7-6-14-32-17/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,25,27)
InChIKeyUAYSLQPIOFWSRR-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.77
Rot. Bonds6

About 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 20880408) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID20880408
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCC3CCCO3)n2n1
InChIInChI=1S/C24H25N7O/c1-16-26-20-10-4-5-11-21(20)30(16)13-12-22-28-23-18-8-2-3-9-19(18)27-24(31(23)29-22)25-15-17-7-6-14-32-17/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,25,27)
InChIKeyUAYSLQPIOFWSRR-UHFFFAOYSA-N
XLogP3.77
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 20880408) is 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(NCC3CCCO3)n2n1.
What is the InChIKey of 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is UAYSLQPIOFWSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-16-26-20-10-4-5-11-21(20)30(16)13-12-22-28-23-18-8-2-3-9-19(18)27-24(31(23)29-22)25-15-17-7-6-14-32-17/h2-5,8-11,17H,6-7,12-15H2,1H3,(H,25,27).
What are the key properties of 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 427.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylbenzimidazol-1-yl)ethyl]-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 20880408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).