4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole

C14H19N5 — CID 136847602

IUPAC4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
SMILESCn1nccc1C1CCNc2nc3c(n21)CCCC3
InChIInChI=1S/C14H19N5/c1-18-12(7-9-16-18)13-6-8-15-14-17-10-4-2-3-5-11(10)19(13)14/h7,9,13H,2-6,8H2,1H3,(H,15,17)
InChIKeyYFTMHOWJYWTKAO-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.90
Rot. Bonds1

About 4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole

4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole (PubChem CID 136847602) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
PubChem CID136847602
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
SMILESCn1nccc1C1CCNc2nc3c(n21)CCCC3
InChIInChI=1S/C14H19N5/c1-18-12(7-9-16-18)13-6-8-15-14-17-10-4-2-3-5-11(10)19(13)14/h7,9,13H,2-6,8H2,1H3,(H,15,17)
InChIKeyYFTMHOWJYWTKAO-UHFFFAOYSA-N
XLogP1.90
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole (CID 136847602) is 4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole is Cn1nccc1C1CCNc2nc3c(n21)CCCC3.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole?
The InChIKey is YFTMHOWJYWTKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-18-12(7-9-16-18)13-6-8-15-14-17-10-4-2-3-5-11(10)19(13)14/h7,9,13H,2-6,8H2,1H3,(H,15,17).
What are the key properties of 4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole?
4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole has a molecular weight of 257.34 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 136847602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).