3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone

C16H18N2O2 — CID 65406612

IUPAC3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-2-9-18-10-8-17-16(18)15(19)13-7-11-20-14-6-4-3-5-12(13)14/h3-6,8,10,13H,2,7,9,11H2,1H3
InChIKeyHGISBFQHDSJVCU-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.04
Rot. Bonds4

About 3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone

3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone (PubChem CID 65406612) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone
PubChem CID65406612
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H18N2O2/c1-2-9-18-10-8-17-16(18)15(19)13-7-11-20-14-6-4-3-5-12(13)14/h3-6,8,10,13H,2,7,9,11H2,1H3
InChIKeyHGISBFQHDSJVCU-UHFFFAOYSA-N
XLogP3.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone (CID 65406612) is 3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)C1CCOc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone?
The InChIKey is HGISBFQHDSJVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-9-18-10-8-17-16(18)15(19)13-7-11-20-14-6-4-3-5-12(13)14/h3-6,8,10,13H,2,7,9,11H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone?
3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-4-yl-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 65406612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).