N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine

C20H20FN3O2 — CID 154746074

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccc2c(c1)CC(NCc1ccc(-n3ccnc3)c(F)c1)CO2
InChIInChI=1S/C20H20FN3O2/c1-25-17-3-5-20-15(10-17)9-16(12-26-20)23-11-14-2-4-19(18(21)8-14)24-7-6-22-13-24/h2-8,10,13,16,23H,9,11-12H2,1H3
InChIKeyMAWPJYPCOCRAKV-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.11
Rot. Bonds5

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine (PubChem CID 154746074) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine
PubChem CID154746074
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccc2c(c1)CC(NCc1ccc(-n3ccnc3)c(F)c1)CO2
InChIInChI=1S/C20H20FN3O2/c1-25-17-3-5-20-15(10-17)9-16(12-26-20)23-11-14-2-4-19(18(21)8-14)24-7-6-22-13-24/h2-8,10,13,16,23H,9,11-12H2,1H3
InChIKeyMAWPJYPCOCRAKV-UHFFFAOYSA-N
XLogP3.11
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine (CID 154746074) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine is COc1ccc2c(c1)CC(NCc1ccc(-n3ccnc3)c(F)c1)CO2.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is MAWPJYPCOCRAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-25-17-3-5-20-15(10-17)9-16(12-26-20)23-11-14-2-4-19(18(21)8-14)24-7-6-22-13-24/h2-8,10,13,16,23H,9,11-12H2,1H3.
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 353.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 154746074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).