N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide

C21H18FN3O3 — CID 134131481

IUPACN-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NCc1ncc(-c3ccc(F)cc3)[nH]1)=C2
InChIInChI=1S/C21H18FN3O3/c1-27-18-4-2-3-14-9-15(12-28-20(14)18)21(26)24-11-19-23-10-17(25-19)13-5-7-16(22)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyRAJDZTMOAFQUGY-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.32
Rot. Bonds5

About N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide

N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide (PubChem CID 134131481) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide
PubChem CID134131481
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC NameN-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NCc1ncc(-c3ccc(F)cc3)[nH]1)=C2
InChIInChI=1S/C21H18FN3O3/c1-27-18-4-2-3-14-9-15(12-28-20(14)18)21(26)24-11-19-23-10-17(25-19)13-5-7-16(22)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyRAJDZTMOAFQUGY-UHFFFAOYSA-N
XLogP3.32
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide (CID 134131481) is N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)NCc1ncc(-c3ccc(F)cc3)[nH]1)=C2.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide?
The InChIKey is RAJDZTMOAFQUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-27-18-4-2-3-14-9-15(12-28-20(14)18)21(26)24-11-19-23-10-17(25-19)13-5-7-16(22)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide?
N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]-8-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 134131481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).