1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

C19H19N7O — CID 155524256

IUPAC1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
SMILESCc1cc(C)n2nc(CC(=O)N3CCCn4c3nc3ccccc34)nc2n1
InChIInChI=1S/C19H19N7O/c1-12-10-13(2)26-18(20-12)22-16(23-26)11-17(27)25-9-5-8-24-15-7-4-3-6-14(15)21-19(24)25/h3-4,6-7,10H,5,8-9,11H2,1-2H3
InChIKeyJBJJHTQRGVGSCN-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.07
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone (PubChem CID 155524256) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
PubChem CID155524256
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
SMILESCc1cc(C)n2nc(CC(=O)N3CCCn4c3nc3ccccc34)nc2n1
InChIInChI=1S/C19H19N7O/c1-12-10-13(2)26-18(20-12)22-16(23-26)11-17(27)25-9-5-8-24-15-7-4-3-6-14(15)21-19(24)25/h3-4,6-7,10H,5,8-9,11H2,1-2H3
InChIKeyJBJJHTQRGVGSCN-UHFFFAOYSA-N
XLogP2.07
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94030161
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 94030160
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 87025761
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(3R)-3-methyl-3-phenylpiperidin-1-yl]ethanone
CID 97148684
5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 50954331
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 86285398
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 56551398
1-[4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55759680
1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 25344438
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 154796770
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119492867

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone (CID 155524256) is 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone is Cc1cc(C)n2nc(CC(=O)N3CCCn4c3nc3ccccc34)nc2n1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
The InChIKey is JBJJHTQRGVGSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-12-10-13(2)26-18(20-12)22-16(23-26)11-17(27)25-9-5-8-24-15-7-4-3-6-14(15)21-19(24)25/h3-4,6-7,10H,5,8-9,11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone?
1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone has a molecular weight of 361.41 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone is sourced from PubChem (CID 155524256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).