[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone

C15H19N3O3 — CID 118741169

IUPAC[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone
SMILESCOCC1CN(C(=O)c2ccoc2C)Cc2nccn2C1
InChIInChI=1S/C15H19N3O3/c1-11-13(3-6-21-11)15(19)18-8-12(10-20-2)7-17-5-4-16-14(17)9-18/h3-6,12H,7-10H2,1-2H3
InChIKeyDXQIHUUVLOWHGK-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.70
Rot. Bonds3

About [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone

[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 118741169) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone
PubChem CID118741169
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone
SMILESCOCC1CN(C(=O)c2ccoc2C)Cc2nccn2C1
InChIInChI=1S/C15H19N3O3/c1-11-13(3-6-21-11)15(19)18-8-12(10-20-2)7-17-5-4-16-14(17)9-18/h3-6,12H,7-10H2,1-2H3
InChIKeyDXQIHUUVLOWHGK-UHFFFAOYSA-N
XLogP1.70
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Imidazol-1-yl(2-methyl-3-furyl)methanone
CID 66563653
[4-[(5-Chloro-1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 53591748
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 53617304
(2-Methylfuran-3-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53624998
(2-Methylfuran-3-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 56778628
1-[[8-(2-Methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
CID 97405466
[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
CID 118740883
Furan-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 118740970
[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
CID 118741081
6-(Ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118743716
[6-[(Dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone
CID 118745029
(2-Methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 118745038

Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone (CID 118741169) is [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone is COCC1CN(C(=O)c2ccoc2C)Cc2nccn2C1.
What is the InChIKey of [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is DXQIHUUVLOWHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-13(3-6-21-11)15(19)18-8-12(10-20-2)7-17-5-4-16-14(17)9-18/h3-6,12H,7-10H2,1-2H3.
What are the key properties of [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone?
[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 289.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 118741169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).