5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one

C17H13N3O — CID 50968991

IUPAC5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-n3ccnc3-c3cccnc3)ccc21
InChIInChI=1S/C17H13N3O/c21-16-6-3-12-10-14(4-5-15(12)16)20-9-8-19-17(20)13-2-1-7-18-11-13/h1-2,4-5,7-11H,3,6H2
InChIKeyLDMHIVYXRLSDGP-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.06
Rot. Bonds2

About 5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one

5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one (PubChem CID 50968991) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one
PubChem CID50968991
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-n3ccnc3-c3cccnc3)ccc21
InChIInChI=1S/C17H13N3O/c21-16-6-3-12-10-14(4-5-15(12)16)20-9-8-19-17(20)13-2-1-7-18-11-13/h1-2,4-5,7-11H,3,6H2
InChIKeyLDMHIVYXRLSDGP-UHFFFAOYSA-N
XLogP3.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyridin-3-yl-2,3-dihydroinden-1-one
CID 18407230
3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine
CID 50958436
N-[2-ethyl-4-(2-pyridin-3-ylimidazol-1-yl)phenyl]acetamide
CID 50985435
3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine
CID 56861620
3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine
CID 140811429
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
9-[6-(2-phenylimidazol-1-yl)-9H-fluoren-3-yl]carbazole
CID 58037505
1-phenyl-2-[3-(1-phenylimidazol-2-yl)phenyl]imidazole
CID 58965505
trans-(1R,2R)-2-(2-pyridin-3-ylimidazol-1-yl)cyclohexan-1-ol
CID 133264534
6-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 125180520
4-piperidin-1-yl-2-pyridin-3-ylaniline
CID 171118345
1,2-bis(3,5-diphenylphenyl)imidazole
CID 90181054

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one (CID 50968991) is 5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one is O=C1CCc2cc(-n3ccnc3-c3cccnc3)ccc21.
What is the InChIKey of 5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one?
The InChIKey is LDMHIVYXRLSDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c21-16-6-3-12-10-14(4-5-15(12)16)20-9-8-19-17(20)13-2-1-7-18-11-13/h1-2,4-5,7-11H,3,6H2.
What are the key properties of 5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one?
5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one has a molecular weight of 275.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 50968991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).