4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole

C16H23N5 — CID 136709686

IUPAC4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
SMILESCc1nn(C)c(C)c1C1CCNc2nc3c(n21)CCCC3
InChIInChI=1S/C16H23N5/c1-10-15(11(2)20(3)19-10)14-8-9-17-16-18-12-6-4-5-7-13(12)21(14)16/h14H,4-9H2,1-3H3,(H,17,18)
InChIKeyUBOZDJFEVNUJTO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.52
Rot. Bonds1

About 4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole

4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole (PubChem CID 136709686) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
PubChem CID136709686
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
SMILESCc1nn(C)c(C)c1C1CCNc2nc3c(n21)CCCC3
InChIInChI=1S/C16H23N5/c1-10-15(11(2)20(3)19-10)14-8-9-17-16-18-12-6-4-5-7-13(12)21(14)16/h14H,4-9H2,1-3H3,(H,17,18)
InChIKeyUBOZDJFEVNUJTO-UHFFFAOYSA-N
XLogP2.52
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole (CID 136709686) is 4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole is Cc1nn(C)c(C)c1C1CCNc2nc3c(n21)CCCC3.
What is the InChIKey of 4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole?
The InChIKey is UBOZDJFEVNUJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-10-15(11(2)20(3)19-10)14-8-9-17-16-18-12-6-4-5-7-13(12)21(14)16/h14H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole?
4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole has a molecular weight of 285.39 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 136709686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).