2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C20H22N6O — CID 66636335

IUPAC2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1cn(C)c(CCc2nc3nc(C)cc(C)n3n2)n1
InChIInChI=1S/C20H22N6O/c1-13-11-14(2)26-20(21-13)23-18(24-26)9-10-19-22-16(12-25(19)3)15-7-5-6-8-17(15)27-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyBWPPXBNBCLYNSF-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.94
Rot. Bonds5

About 2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 66636335) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID66636335
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1cn(C)c(CCc2nc3nc(C)cc(C)n3n2)n1
InChIInChI=1S/C20H22N6O/c1-13-11-14(2)26-20(21-13)23-18(24-26)9-10-19-22-16(12-25(19)3)15-7-5-6-8-17(15)27-4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyBWPPXBNBCLYNSF-UHFFFAOYSA-N
XLogP2.94
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 66636335) is 2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccccc1-c1cn(C)c(CCc2nc3nc(C)cc(C)n3n2)n1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BWPPXBNBCLYNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13-11-14(2)26-20(21-13)23-18(24-26)9-10-19-22-16(12-25(19)3)15-7-5-6-8-17(15)27-4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 362.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66636335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).