7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide

C18H20FN3O2 — CID 70728568

IUPAC7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cncn2CC(C)C)oc2c(F)cccc12
InChIInChI=1S/C18H20FN3O2/c1-11(2)9-22-10-20-7-13(22)8-21-18(23)16-12(3)14-5-4-6-15(19)17(14)24-16/h4-7,10-11H,8-9H2,1-3H3,(H,21,23)
InChIKeyHBDFQTFGPJKMKP-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.66
Rot. Bonds5

About 7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide

7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 70728568) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID70728568
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cncn2CC(C)C)oc2c(F)cccc12
InChIInChI=1S/C18H20FN3O2/c1-11(2)9-22-10-20-7-13(22)8-21-18(23)16-12(3)14-5-4-6-15(19)17(14)24-16/h4-7,10-11H,8-9H2,1-3H3,(H,21,23)
InChIKeyHBDFQTFGPJKMKP-UHFFFAOYSA-N
XLogP3.66
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide (CID 70728568) is 7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2cncn2CC(C)C)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is HBDFQTFGPJKMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-11(2)9-22-10-20-7-13(22)8-21-18(23)16-12(3)14-5-4-6-15(19)17(14)24-16/h4-7,10-11H,8-9H2,1-3H3,(H,21,23).
What are the key properties of 7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide?
7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70728568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).