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

C18H24N4O2 — CID 118745038

IUPAC(2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
SMILESCc1occc1C(=O)N1Cc2nccn2CC(CN2CCCC2)C1
InChIInChI=1S/C18H24N4O2/c1-14-16(4-9-24-14)18(23)22-12-15(10-20-6-2-3-7-20)11-21-8-5-19-17(21)13-22/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3
InChIKeyCKESQAWBKAAMQI-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.15
Rot. Bonds3

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

(2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone (PubChem CID 118745038) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
PubChem CID118745038
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
SMILESCc1occc1C(=O)N1Cc2nccn2CC(CN2CCCC2)C1
InChIInChI=1S/C18H24N4O2/c1-14-16(4-9-24-14)18(23)22-12-15(10-20-6-2-3-7-20)11-21-8-5-19-17(21)13-22/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3
InChIKeyCKESQAWBKAAMQI-UHFFFAOYSA-N
XLogP2.15
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
The IUPAC name of (2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone (CID 118745038) is (2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
The canonical SMILES for (2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone is Cc1occc1C(=O)N1Cc2nccn2CC(CN2CCCC2)C1.
What is the InChIKey of (2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
The InChIKey is CKESQAWBKAAMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-16(4-9-24-14)18(23)22-12-15(10-20-6-2-3-7-20)11-21-8-5-19-17(21)13-22/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone?
(2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone is sourced from PubChem (CID 118745038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).