2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

C11H17N3O — CID 53145238

IUPAC2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H17N3O/c1-11(2,3)10(15)14-5-4-8-9(6-14)13-7-12-8/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyPFIMGQRZBVVANC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.34
Rot. Bonds

About 2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 53145238) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID53145238
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H17N3O/c1-11(2,3)10(15)14-5-4-8-9(6-14)13-7-12-8/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyPFIMGQRZBVVANC-UHFFFAOYSA-N
XLogP1.34
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (CID 53145238) is 2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is CC(C)(C)C(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is PFIMGQRZBVVANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2,3)10(15)14-5-4-8-9(6-14)13-7-12-8/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 53145238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).