1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone

C11H15N3O — CID 90729209

IUPAC1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone
SMILES[H]/N=C1\c2nc(C)c(C)n2CCC1C(C)=O
InChIInChI=1S/C11H15N3O/c1-6-7(2)14-5-4-9(8(3)15)10(12)11(14)13-6/h9,12H,4-5H2,1-3H3/b12-10-
InChIKeyJFVWZTFAHARRTA-BENRWUELSA-N
MW205.26 g/mol
LogP1.48
Rot. Bonds1

About 1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone

1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone (PubChem CID 90729209) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone
PubChem CID90729209
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone
SMILES[H]/N=C1\c2nc(C)c(C)n2CCC1C(C)=O
InChIInChI=1S/C11H15N3O/c1-6-7(2)14-5-4-9(8(3)15)10(12)11(14)13-6/h9,12H,4-5H2,1-3H3/b12-10-
InChIKeyJFVWZTFAHARRTA-BENRWUELSA-N
XLogP1.48
TPSA58.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone (CID 90729209) is 1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone is [H]/N=C1\c2nc(C)c(C)n2CCC1C(C)=O.
What is the InChIKey of 1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone?
The InChIKey is JFVWZTFAHARRTA-BENRWUELSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6-7(2)14-5-4-9(8(3)15)10(12)11(14)13-6/h9,12H,4-5H2,1-3H3/b12-10-.
What are the key properties of 1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone?
1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone has a molecular weight of 205.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-imino-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 90729209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).