7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one

C11H17N3O — CID 146322889

IUPAC7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one
SMILESCC(C)c1cn2c(n1)CC(=O)N(C)CC2
InChIInChI=1S/C11H17N3O/c1-8(2)9-7-14-5-4-13(3)11(15)6-10(14)12-9/h7-8H,4-6H2,1-3H3
InChIKeyYOFPDVKRIHQYJY-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.02
Rot. Bonds1

About 7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one

7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one (PubChem CID 146322889) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one.

Molecular Properties

Compound Name7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one
PubChem CID146322889
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one
SMILESCC(C)c1cn2c(n1)CC(=O)N(C)CC2
InChIInChI=1S/C11H17N3O/c1-8(2)9-7-14-5-4-13(3)11(15)6-10(14)12-9/h7-8H,4-6H2,1-3H3
InChIKeyYOFPDVKRIHQYJY-UHFFFAOYSA-N
XLogP1.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one?
The IUPAC name of 7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one (CID 146322889) is 7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one.
What is the SMILES notation for 7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one?
The canonical SMILES for 7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one is CC(C)c1cn2c(n1)CC(=O)N(C)CC2.
What is the InChIKey of 7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one?
The InChIKey is YOFPDVKRIHQYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)9-7-14-5-4-13(3)11(15)6-10(14)12-9/h7-8H,4-6H2,1-3H3.
What are the key properties of 7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one?
7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one has a molecular weight of 207.28 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-yl-6,9-dihydro-5H-imidazo[1,2-d][1,4]diazepin-8-one is sourced from PubChem (CID 146322889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).