7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one

C19H14N2O2 — CID 138981317

IUPAC7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one
SMILESCn1ccnc1-c1ccc2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C19H14N2O2/c1-21-10-9-20-19(21)14-7-8-15-16(22)12-17(23-18(15)11-14)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyKJCHDLLMOFSUES-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.86
Rot. Bonds2

About 7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one

7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one (PubChem CID 138981317) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one
PubChem CID138981317
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one
SMILESCn1ccnc1-c1ccc2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C19H14N2O2/c1-21-10-9-20-19(21)14-7-8-15-16(22)12-17(23-18(15)11-14)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyKJCHDLLMOFSUES-UHFFFAOYSA-N
XLogP3.86
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-2-phenylchromen-4-one
CID 5281894
2-phenylchromen-4-one
CID 90124083
ethane;1-methyl-2-phenylimidazole
CID 142155183
copper;2-phenylchromen-4-one
CID 175169427
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
2-phenyl-7-[2-[2-(triazol-1-yl)ethoxy]ethoxy]chromen-4-one
CID 141373323
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
CID 159796273
CID 159796273
7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one?
The IUPAC name of 7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one (CID 138981317) is 7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one.
What is the SMILES notation for 7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one?
The canonical SMILES for 7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one is Cn1ccnc1-c1ccc2c(=O)cc(-c3ccccc3)oc2c1.
What is the InChIKey of 7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one?
The InChIKey is KJCHDLLMOFSUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-21-10-9-20-19(21)14-7-8-15-16(22)12-17(23-18(15)11-14)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one?
7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one has a molecular weight of 302.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one is sourced from PubChem (CID 138981317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).