4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate

C13H12N2O3 — CID 67823533

IUPAC4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate
SMILESO=C(OC1=NCCN1)C1=CCc2ccccc2O1
InChIInChI=1S/C13H12N2O3/c16-12(18-13-14-7-8-15-13)11-6-5-9-3-1-2-4-10(9)17-11/h1-4,6H,5,7-8H2,(H,14,15)
InChIKeyCCCOOCOILUFSNR-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.01
Rot. Bonds1

About 4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate

4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate (PubChem CID 67823533) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate
PubChem CID67823533
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate
SMILESO=C(OC1=NCCN1)C1=CCc2ccccc2O1
InChIInChI=1S/C13H12N2O3/c16-12(18-13-14-7-8-15-13)11-6-5-9-3-1-2-4-10(9)17-11/h1-4,6H,5,7-8H2,(H,14,15)
InChIKeyCCCOOCOILUFSNR-UHFFFAOYSA-N
XLogP1.01
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate (CID 67823533) is 4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate is O=C(OC1=NCCN1)C1=CCc2ccccc2O1.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate?
The InChIKey is CCCOOCOILUFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-12(18-13-14-7-8-15-13)11-6-5-9-3-1-2-4-10(9)17-11/h1-4,6H,5,7-8H2,(H,14,15).
What are the key properties of 4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate?
4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-2-yl 4H-chromene-2-carboxylate is sourced from PubChem (CID 67823533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).