1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole

C19H18N2O2 — CID 53305315

IUPAC1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole
SMILESCOc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@@H]2n1ccnc1
InChIInChI=1S/C19H18N2O2/c1-22-15-7-8-16-17(21-10-9-20-13-21)12-18(23-19(16)11-15)14-5-3-2-4-6-14/h2-11,13,17-18H,12H2,1H3/t17-,18+/m0/s1
InChIKeyJEQHTTKNYWNYDK-ZWKOTPCHSA-N
MW306.37 g/mol
LogP4.00
Rot. Bonds3

About 1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole

1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole (PubChem CID 53305315) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole.

Molecular Properties

Compound Name1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole
PubChem CID53305315
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole
SMILESCOc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@@H]2n1ccnc1
InChIInChI=1S/C19H18N2O2/c1-22-15-7-8-16-17(21-10-9-20-13-21)12-18(23-19(16)11-15)14-5-3-2-4-6-14/h2-11,13,17-18H,12H2,1H3/t17-,18+/m0/s1
InChIKeyJEQHTTKNYWNYDK-ZWKOTPCHSA-N
XLogP4.00
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole?
The IUPAC name of 1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole (CID 53305315) is 1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole.
What is the SMILES notation for 1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole?
The canonical SMILES for 1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole is COc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@@H]2n1ccnc1.
What is the InChIKey of 1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole?
The InChIKey is JEQHTTKNYWNYDK-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-22-15-7-8-16-17(21-10-9-20-13-21)12-18(23-19(16)11-15)14-5-3-2-4-6-14/h2-11,13,17-18H,12H2,1H3/t17-,18+/m0/s1.
What are the key properties of 1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole?
1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole has a molecular weight of 306.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]imidazole is sourced from PubChem (CID 53305315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).