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

C18H14N2O2 — CID 13135472

IUPAC3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OC(c2ccccc2)C1n1ccnc1
InChIInChI=1S/C18H14N2O2/c21-17-14-8-4-5-9-15(14)22-18(13-6-2-1-3-7-13)16(17)20-11-10-19-12-20/h1-12,16,18H
InChIKeyYSTYNOPZERCMNB-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.44
Rot. Bonds2

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

3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 13135472) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID13135472
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OC(c2ccccc2)C1n1ccnc1
InChIInChI=1S/C18H14N2O2/c21-17-14-8-4-5-9-15(14)22-18(13-6-2-1-3-7-13)16(17)20-11-10-19-12-20/h1-12,16,18H
InChIKeyYSTYNOPZERCMNB-UHFFFAOYSA-N
XLogP3.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-((1H-imidazol-1-yl)methyl)-4H-chromen-4-one
CID 10585323
3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one
CID 10588478
4-[(R)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)methyl]benzonitrile
CID 11544414
4-[(S)-1H-imidazol-1-yl(4-oxo-4H-chromen-3-yl)methyl]benzonitrile
CID 11573432
3-(Imidazolylmethyl)flavone
CID 11847316
3-((1H-imidazol-1-yl)methyl)-2-(4-bromophenyl)-4H-chromen-4-one
CID 11847318
4-(3-((1H-imidazol-1-yl)methyl)-4-oxo-4H-chromen-2-yl)benzonitrile
CID 11847319
3-((1H-imidazol-1-yl)methyl)-2-(4-methoxyphenyl)-4H-chromen-4-one
CID 11847320
4-Imidazol-1-ylmethylxanthen-9-one
CID 46867542
2-Imidazol-1-ylmethylxanthen-9-one
CID 46867544
1-Imidazol-1-ylmethylxanthen-9-one
CID 46867545
4-(Imidazol-1-ylmethyl)-2-pent-2-ynoxyxanthen-9-one
CID 156013925

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one (CID 13135472) is 3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one is O=C1c2ccccc2OC(c2ccccc2)C1n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is YSTYNOPZERCMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17-14-8-4-5-9-15(14)22-18(13-6-2-1-3-7-13)16(17)20-11-10-19-12-20/h1-12,16,18H.
What are the key properties of 3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one?
3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 290.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 13135472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).