3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

C18H19N7 — CID 155520000

IUPAC3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCc1cc(C)n2nc(CCN3CCn4c3nc3ccccc34)nc2n1
InChIInChI=1S/C18H19N7/c1-12-11-13(2)25-17(19-12)21-16(22-25)7-8-23-9-10-24-15-6-4-3-5-14(15)20-18(23)24/h3-6,11H,7-10H2,1-2H3
InChIKeyUAINILMGRPADKP-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.15
Rot. Bonds3

About 3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 155520000) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID155520000
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCc1cc(C)n2nc(CCN3CCn4c3nc3ccccc34)nc2n1
InChIInChI=1S/C18H19N7/c1-12-11-13(2)25-17(19-12)21-16(22-25)7-8-23-9-10-24-15-6-4-3-5-14(15)20-18(23)24/h3-6,11H,7-10H2,1-2H3
InChIKeyUAINILMGRPADKP-UHFFFAOYSA-N
XLogP2.15
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 155520000) is 3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is Cc1cc(C)n2nc(CCN3CCn4c3nc3ccccc34)nc2n1.
What is the InChIKey of 3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is UAINILMGRPADKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-12-11-13(2)25-17(19-12)21-16(22-25)7-8-23-9-10-24-15-6-4-3-5-14(15)20-18(23)24/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 333.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 155520000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).