2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole

C21H20F2N2O3 — CID 154818824

IUPAC2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole
SMILESCOc1ccc2c(c1)OCC(Cn1ccnc1-c1ccc(F)c(OC)c1F)C2
InChIInChI=1S/C21H20F2N2O3/c1-26-15-4-3-14-9-13(12-28-18(14)10-15)11-25-8-7-24-21(25)16-5-6-17(22)20(27-2)19(16)23/h3-8,10,13H,9,11-12H2,1-2H3
InChIKeyLLWCPGGCQDDANS-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.10
Rot. Bonds5

About 2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole

2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole (PubChem CID 154818824) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole.

Molecular Properties

Compound Name2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole
PubChem CID154818824
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole
SMILESCOc1ccc2c(c1)OCC(Cn1ccnc1-c1ccc(F)c(OC)c1F)C2
InChIInChI=1S/C21H20F2N2O3/c1-26-15-4-3-14-9-13(12-28-18(14)10-15)11-25-8-7-24-21(25)16-5-6-17(22)20(27-2)19(16)23/h3-8,10,13H,9,11-12H2,1-2H3
InChIKeyLLWCPGGCQDDANS-UHFFFAOYSA-N
XLogP4.10
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole?
The IUPAC name of 2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole (CID 154818824) is 2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole.
What is the SMILES notation for 2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole?
The canonical SMILES for 2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole is COc1ccc2c(c1)OCC(Cn1ccnc1-c1ccc(F)c(OC)c1F)C2.
What is the InChIKey of 2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole?
The InChIKey is LLWCPGGCQDDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c1-26-15-4-3-14-9-13(12-28-18(14)10-15)11-25-8-7-24-21(25)16-5-6-17(22)20(27-2)19(16)23/h3-8,10,13H,9,11-12H2,1-2H3.
What are the key properties of 2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole?
2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole has a molecular weight of 386.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-3-methoxyphenyl)-1-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]imidazole is sourced from PubChem (CID 154818824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).