7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C15H17N3O2 — CID 136839920

IUPAC7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESc1cn2c(n1)NC(c1ccc3c(c1)OCCCO3)CC2
InChIInChI=1S/C15H17N3O2/c1-8-19-13-3-2-11(10-14(13)20-9-1)12-4-6-18-7-5-16-15(18)17-12/h2-3,5,7,10,12H,1,4,6,8-9H2,(H,16,17)
InChIKeyKQNBXMLGCOPPGU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.60
Rot. Bonds1

About 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136839920) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136839920
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESc1cn2c(n1)NC(c1ccc3c(c1)OCCCO3)CC2
InChIInChI=1S/C15H17N3O2/c1-8-19-13-3-2-11(10-14(13)20-9-1)12-4-6-18-7-5-16-15(18)17-12/h2-3,5,7,10,12H,1,4,6,8-9H2,(H,16,17)
InChIKeyKQNBXMLGCOPPGU-UHFFFAOYSA-N
XLogP2.60
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136839843
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840365
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one
CID 116980972
5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 82158646
(5S,7S)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136727816
(5R,7R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136727815
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azepane
CID 80503780
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 51253826
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpiperazine
CID 82086895
2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-4-methoxypyrimidine
CID 40988055
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-methyl-1,4-thiazepane 1,1-dioxide
CID 66229507

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136839920) is 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is c1cn2c(n1)NC(c1ccc3c(c1)OCCCO3)CC2.
What is the InChIKey of 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is KQNBXMLGCOPPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-8-19-13-3-2-11(10-14(13)20-9-1)12-4-6-18-7-5-16-15(18)17-12/h2-3,5,7,10,12H,1,4,6,8-9H2,(H,16,17).
What are the key properties of 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 271.32 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136839920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).