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

C16H22N4O2 — CID 118745029

IUPAC[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1Cc2nccn2CC(CN(C)C)C1
InChIInChI=1S/C16H22N4O2/c1-12-14(4-7-22-12)16(21)20-10-13(8-18(2)3)9-19-6-5-17-15(19)11-20/h4-7,13H,8-11H2,1-3H3
InChIKeyGCRBQGWZUBWPRH-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.62
Rot. Bonds3

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

[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 118745029) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone
PubChem CID118745029
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1Cc2nccn2CC(CN(C)C)C1
InChIInChI=1S/C16H22N4O2/c1-12-14(4-7-22-12)16(21)20-10-13(8-18(2)3)9-19-6-5-17-15(19)11-20/h4-7,13H,8-11H2,1-3H3
InChIKeyGCRBQGWZUBWPRH-UHFFFAOYSA-N
XLogP1.62
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone with MolForge

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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
N-ethyl-N-[[8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
CID 118739540
[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-(Methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone
CID 118741169
6-(Ethoxymethyl)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118743716

Frequently Asked Questions

What is the IUPAC name of [6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone (CID 118745029) is [6-[(dimethylamino)methyl]-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-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1Cc2nccn2CC(CN(C)C)C1.
What is the InChIKey of [6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is GCRBQGWZUBWPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-14(4-7-22-12)16(21)20-10-13(8-18(2)3)9-19-6-5-17-15(19)11-20/h4-7,13H,8-11H2,1-3H3.
What are the key properties of [6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone?
[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 118745029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).