4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile

C20H13N3O2 — CID 11544414

IUPAC4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile
SMILESN#Cc1ccc([C@H](c2coc3ccccc3c2=O)n2ccnc2)cc1
InChIInChI=1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)19(23-10-9-22-13-23)17-12-25-18-4-2-1-3-16(18)20(17)24/h1-10,12-13,19H/t19-/m1/s1
InChIKeyZYDFLNTVLZWITD-LJQANCHMSA-N
MW327.34 g/mol
LogP3.50
Rot. Bonds3

About 4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile

4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile (PubChem CID 11544414) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile
PubChem CID11544414
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile
SMILESN#Cc1ccc([C@H](c2coc3ccccc3c2=O)n2ccnc2)cc1
InChIInChI=1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)19(23-10-9-22-13-23)17-12-25-18-4-2-1-3-16(18)20(17)24/h1-10,12-13,19H/t19-/m1/s1
InChIKeyZYDFLNTVLZWITD-LJQANCHMSA-N
XLogP3.50
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile?
The IUPAC name of 4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile (CID 11544414) is 4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile is N#Cc1ccc([C@H](c2coc3ccccc3c2=O)n2ccnc2)cc1.
What is the InChIKey of 4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile?
The InChIKey is ZYDFLNTVLZWITD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H13N3O2/c21-11-14-5-7-15(8-6-14)19(23-10-9-22-13-23)17-12-25-18-4-2-1-3-16(18)20(17)24/h1-10,12-13,19H/t19-/m1/s1.
What are the key properties of 4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile?
4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile has a molecular weight of 327.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-imidazol-1-yl-(4-oxochromen-3-yl)methyl]benzonitrile is sourced from PubChem (CID 11544414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).