2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole

C14H16N2O — CID 54144618

IUPAC2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole
SMILESCC1(C)C=Cc2cc(C3=NCCN3)ccc2O1
InChIInChI=1S/C14H16N2O/c1-14(2)6-5-10-9-11(3-4-12(10)17-14)13-15-7-8-16-13/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyODLXHTFESYHAHS-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.22
Rot. Bonds1

About 2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole

2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole (PubChem CID 54144618) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole
PubChem CID54144618
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole
SMILESCC1(C)C=Cc2cc(C3=NCCN3)ccc2O1
InChIInChI=1S/C14H16N2O/c1-14(2)6-5-10-9-11(3-4-12(10)17-14)13-15-7-8-16-13/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyODLXHTFESYHAHS-UHFFFAOYSA-N
XLogP2.22
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole (CID 54144618) is 2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole is CC1(C)C=Cc2cc(C3=NCCN3)ccc2O1.
What is the InChIKey of 2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is ODLXHTFESYHAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-14(2)6-5-10-9-11(3-4-12(10)17-14)13-15-7-8-16-13/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole?
2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 228.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylchromen-6-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 54144618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).