2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone

C10H11N3O — CID 116826220

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone
SMILESO=C(CC1=NCCN1)c1ccccn1
InChIInChI=1S/C10H11N3O/c14-9(7-10-12-5-6-13-10)8-3-1-2-4-11-8/h1-4H,5-7H2,(H,12,13)
InChIKeySDZUMQQQJAHIOF-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.66
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone

2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone (PubChem CID 116826220) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone
PubChem CID116826220
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone
SMILESO=C(CC1=NCCN1)c1ccccn1
InChIInChI=1S/C10H11N3O/c14-9(7-10-12-5-6-13-10)8-3-1-2-4-11-8/h1-4H,5-7H2,(H,12,13)
InChIKeySDZUMQQQJAHIOF-UHFFFAOYSA-N
XLogP0.66
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1,3-oxazol-2-yl)-1-pyridin-2-ylethanone
CID 116826363
1-(2-phenylphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)ethanone
CID 54243461
2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
2-[6-(2-oxo-2-pyridin-2-ylethyl)-3-sulfanylidene-2H-1,2,4-triazin-5-yl]-1-pyridin-2-ylethanone
CID 51059575
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
2-pyrazin-2-yl-1-pyridin-2-ylethanone
CID 3739313
2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
CID 97164226
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
3-oxo-3-pyridin-2-ylpropanal
CID 22486385
2-piperidin-4-yloxy-1-pyridin-2-ylethanone
CID 71645202
4-methyl-1-pyridin-2-ylpentane-1,3-dione
CID 63319425
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(6-methoxynaphthalen-2-yl)ethanone
CID 116826241

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone (CID 116826220) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone is O=C(CC1=NCCN1)c1ccccn1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone?
The InChIKey is SDZUMQQQJAHIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-9(7-10-12-5-6-13-10)8-3-1-2-4-11-8/h1-4H,5-7H2,(H,12,13).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone has a molecular weight of 189.22 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-pyridin-2-ylethanone is sourced from PubChem (CID 116826220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).