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

C15H23N3O — CID 136709702

IUPAC4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
SMILESCC1CCC(C2CCNc3nc4c(n32)CCCC4)O1
InChIInChI=1S/C15H23N3O/c1-10-6-7-14(19-10)13-8-9-16-15-17-11-4-2-3-5-12(11)18(13)15/h10,13-14H,2-9H2,1H3,(H,16,17)
InChIKeyXLJOCDQVDJWIKB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.69
Rot. Bonds1

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

4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole (PubChem CID 136709702) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
PubChem CID136709702
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
SMILESCC1CCC(C2CCNc3nc4c(n32)CCCC4)O1
InChIInChI=1S/C15H23N3O/c1-10-6-7-14(19-10)13-8-9-16-15-17-11-4-2-3-5-12(11)18(13)15/h10,13-14H,2-9H2,1H3,(H,16,17)
InChIKeyXLJOCDQVDJWIKB-UHFFFAOYSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole with MolForge

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Related Compounds

4-(2-methylpyrazol-3-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
CID 136847602
2-(1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazol-4-yl)-1,3-thiazole
CID 136709710
4-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
CID 136709686
4-(3-methoxyphenyl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole
CID 136709714
7-(5-methyloxolan-2-yl)-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838483
7-(5-methyloxolan-2-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709468
2-butyl-7-(5-methyloxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838419
(2S)-2,5-dimethyloxolane
CID 118613003
1-methyl-5-(5-methyloxolan-2-yl)-4,5-dihydroimidazol-2-amine
CID 82839551
7-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136839904
1-cyclopentyl-5-(5-methyloxolan-2-yl)-4,5-dihydroimidazol-2-amine
CID 82839979
2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 102819887

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole (CID 136709702) is 4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole is CC1CCC(C2CCNc3nc4c(n32)CCCC4)O1.
What is the InChIKey of 4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole?
The InChIKey is XLJOCDQVDJWIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-6-7-14(19-10)13-8-9-16-15-17-11-4-2-3-5-12(11)18(13)15/h10,13-14H,2-9H2,1H3,(H,16,17).
What are the key properties of 4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole?
4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole has a molecular weight of 261.37 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyloxolan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 136709702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).