3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one

C17H13N3O2 — CID 13135475

IUPAC3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OC(c2cccnc2)C1n1ccnc1
InChIInChI=1S/C17H13N3O2/c21-16-13-5-1-2-6-14(13)22-17(12-4-3-7-18-10-12)15(16)20-9-8-19-11-20/h1-11,15,17H
InChIKeyGYKYMKFFXFAOFE-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.84
Rot. Bonds2

About 3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one

3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one (PubChem CID 13135475) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one
PubChem CID13135475
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OC(c2cccnc2)C1n1ccnc1
InChIInChI=1S/C17H13N3O2/c21-16-13-5-1-2-6-14(13)22-17(12-4-3-7-18-10-12)15(16)20-9-8-19-11-20/h1-11,15,17H
InChIKeyGYKYMKFFXFAOFE-UHFFFAOYSA-N
XLogP2.84
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one (CID 13135475) is 3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one is O=C1c2ccccc2OC(c2cccnc2)C1n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
The InChIKey is GYKYMKFFXFAOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16-13-5-1-2-6-14(13)22-17(12-4-3-7-18-10-12)15(16)20-9-8-19-11-20/h1-11,15,17H.
What are the key properties of 3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one has a molecular weight of 291.31 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 13135475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).