[2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone

C18H21N3O3 — CID 53183359

IUPAC[2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone
SMILESCOc1cccc(-c2cn3c(n2)N(C(=O)C2CCCO2)CCC3)c1
InChIInChI=1S/C18H21N3O3/c1-23-14-6-2-5-13(11-14)15-12-20-8-4-9-21(18(20)19-15)17(22)16-7-3-10-24-16/h2,5-6,11-12,16H,3-4,7-10H2,1H3
InChIKeyQOSKDFAFYNNDSN-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.47
Rot. Bonds3

About [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone

[2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone (PubChem CID 53183359) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone
PubChem CID53183359
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone
SMILESCOc1cccc(-c2cn3c(n2)N(C(=O)C2CCCO2)CCC3)c1
InChIInChI=1S/C18H21N3O3/c1-23-14-6-2-5-13(11-14)15-12-20-8-4-9-21(18(20)19-15)17(22)16-7-3-10-24-16/h2,5-6,11-12,16H,3-4,7-10H2,1H3
InChIKeyQOSKDFAFYNNDSN-UHFFFAOYSA-N
XLogP2.47
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone (CID 53183359) is [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone is COc1cccc(-c2cn3c(n2)N(C(=O)C2CCCO2)CCC3)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone?
The InChIKey is QOSKDFAFYNNDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-14-6-2-5-13(11-14)15-12-20-8-4-9-21(18(20)19-15)17(22)16-7-3-10-24-16/h2,5-6,11-12,16H,3-4,7-10H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone?
[2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone has a molecular weight of 327.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 53183359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).