4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one

C11H13N3O — CID 83857986

IUPAC4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one
SMILESCC(=O)CCc1nc2cnccc2n1C
InChIInChI=1S/C11H13N3O/c1-8(15)3-4-11-13-9-7-12-6-5-10(9)14(11)2/h5-7H,3-4H2,1-2H3
InChIKeyIZDOADJRKXGMFN-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.49
Rot. Bonds3

About 4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one

4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one (PubChem CID 83857986) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one
PubChem CID83857986
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one
SMILESCC(=O)CCc1nc2cnccc2n1C
InChIInChI=1S/C11H13N3O/c1-8(15)3-4-11-13-9-7-12-6-5-10(9)14(11)2/h5-7H,3-4H2,1-2H3
InChIKeyIZDOADJRKXGMFN-UHFFFAOYSA-N
XLogP1.49
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-1-methylimidazo[4,5-c]pyridine
CID 150484060
4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one
CID 116985988
3-[2-(1-methylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339631
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate
CID 79292098
methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate
CID 114793213
5-[5-(3-chloropropyl)-1-methylbenzimidazol-2-yl]pentan-2-one
CID 147081851
2-methyl-2-[(1-methylimidazo[4,5-c]pyridin-2-yl)amino]propanoic acid
CID 83841437
3-(1-tert-butylimidazo[4,5-c]pyridin-2-yl)-1,1,1-trifluoropropan-2-one
CID 79873092
3-(5-tert-butyl-1-methylbenzimidazol-2-yl)propanoic acid
CID 84638243
4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine
CID 18694804
4-isoquinolin-8-ylbutan-2-one
CID 103144158

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one?
The IUPAC name of 4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one (CID 83857986) is 4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one.
What is the SMILES notation for 4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one?
The canonical SMILES for 4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one is CC(=O)CCc1nc2cnccc2n1C.
What is the InChIKey of 4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one?
The InChIKey is IZDOADJRKXGMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(15)3-4-11-13-9-7-12-6-5-10(9)14(11)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one?
4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one is sourced from PubChem (CID 83857986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).