5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole

C13H16N2O — CID 10536695

IUPAC5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=NCC(CC2CCc3ccccc3O2)N1
InChIInChI=1S/C13H16N2O/c1-2-4-13-10(3-1)5-6-12(16-13)7-11-8-14-9-15-11/h1-4,9,11-12H,5-8H2,(H,14,15)
InChIKeyAGDPTWNZMXTMAR-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.77
Rot. Bonds2

About 5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole

5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 10536695) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID10536695
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=NCC(CC2CCc3ccccc3O2)N1
InChIInChI=1S/C13H16N2O/c1-2-4-13-10(3-1)5-6-12(16-13)7-11-8-14-9-15-11/h1-4,9,11-12H,5-8H2,(H,14,15)
InChIKeyAGDPTWNZMXTMAR-UHFFFAOYSA-N
XLogP1.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole (CID 10536695) is 5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole is C1=NCC(CC2CCc3ccccc3O2)N1.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is AGDPTWNZMXTMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-4-13-10(3-1)5-6-12(16-13)7-11-8-14-9-15-11/h1-4,9,11-12H,5-8H2,(H,14,15).
What are the key properties of 5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole?
5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 216.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-2-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10536695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).