N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide

C19H15N3O3 — CID 102560819

IUPACN-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide
SMILESO=C(NC1COc2ccccc2C1=O)c1cncn1-c1ccccc1
InChIInChI=1S/C19H15N3O3/c23-18-14-8-4-5-9-17(14)25-11-15(18)21-19(24)16-10-20-12-22(16)13-6-2-1-3-7-13/h1-10,12,15H,11H2,(H,21,24)
InChIKeyVYQKSTSBKAZMRK-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.25
Rot. Bonds3

About N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide

N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide (PubChem CID 102560819) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide
PubChem CID102560819
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide
SMILESO=C(NC1COc2ccccc2C1=O)c1cncn1-c1ccccc1
InChIInChI=1S/C19H15N3O3/c23-18-14-8-4-5-9-17(14)25-11-15(18)21-19(24)16-10-20-12-22(16)13-6-2-1-3-7-13/h1-10,12,15H,11H2,(H,21,24)
InChIKeyVYQKSTSBKAZMRK-UHFFFAOYSA-N
XLogP2.25
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide (CID 102560819) is N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide is O=C(NC1COc2ccccc2C1=O)c1cncn1-c1ccccc1.
What is the InChIKey of N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide?
The InChIKey is VYQKSTSBKAZMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-18-14-8-4-5-9-17(14)25-11-15(18)21-19(24)16-10-20-12-22(16)13-6-2-1-3-7-13/h1-10,12,15H,11H2,(H,21,24).
What are the key properties of N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide?
N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2,3-dihydrochromen-3-yl)-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 102560819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).