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

C14H17N3O3 — CID 118740970

IUPACfuran-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
SMILESCOCC1CN(C(=O)c2ccco2)Cc2nccn2C1
InChIInChI=1S/C14H17N3O3/c1-19-10-11-7-16-5-4-15-13(16)9-17(8-11)14(18)12-3-2-6-20-12/h2-6,11H,7-10H2,1H3
InChIKeyOJBIOTAVYQBBDN-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.39
Rot. Bonds3

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

furan-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone (PubChem CID 118740970) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is furan-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
PubChem CID118740970
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namefuran-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
SMILESCOCC1CN(C(=O)c2ccco2)Cc2nccn2C1
InChIInChI=1S/C14H17N3O3/c1-19-10-11-7-16-5-4-15-13(16)9-17(8-11)14(18)12-3-2-6-20-12/h2-6,11H,7-10H2,1H3
InChIKeyOJBIOTAVYQBBDN-UHFFFAOYSA-N
XLogP1.39
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pefurazoate
CID 93532
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CID 3246788
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CID 7317256
(2E)-3-(2-furyl)-2-(2-furylcarbonylamino)-N-(3-imidazolylpropyl)prop-2-enamide
CID 5732091
1-(Furan-2-ylmethyl)imidazole-2-carboxylic acid
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N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide
CID 2885920
N-(2-(1H-imidazol-1-yl)ethyl)furan-2-carboxamide
CID 13371087
N-[4-(1H-Imidazol-1-yl)butyl]-2-furanecarboxamide
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US10716791, Code KP-286
CID 137661236
1-(Furan-2-ylmethyl)-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
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CID 51083400

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
The IUPAC name of furan-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone (CID 118740970) is furan-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone.
What is the SMILES notation for furan-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
The canonical SMILES for furan-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone is COCC1CN(C(=O)c2ccco2)Cc2nccn2C1.
What is the InChIKey of furan-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
The InChIKey is OJBIOTAVYQBBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-10-11-7-16-5-4-15-13(16)9-17(8-11)14(18)12-3-2-6-20-12/h2-6,11H,7-10H2,1H3.
What are the key properties of furan-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
furan-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone has a molecular weight of 275.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone is sourced from PubChem (CID 118740970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).