5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide

C22H23N5O3 — CID 50977594

IUPAC5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(Cn2cnc(-c3ccccc3)c2-c2nccn2CCOC)o1
InChIInChI=1S/C22H23N5O3/c1-23-22(28)18-9-8-17(30-18)14-27-15-25-19(16-6-4-3-5-7-16)20(27)21-24-10-11-26(21)12-13-29-2/h3-11,15H,12-14H2,1-2H3,(H,23,28)
InChIKeyFJGRBWMJHCQVOU-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.06
Rot. Bonds8

About 5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide

5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide (PubChem CID 50977594) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide
PubChem CID50977594
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(Cn2cnc(-c3ccccc3)c2-c2nccn2CCOC)o1
InChIInChI=1S/C22H23N5O3/c1-23-22(28)18-9-8-17(30-18)14-27-15-25-19(16-6-4-3-5-7-16)20(27)21-24-10-11-26(21)12-13-29-2/h3-11,15H,12-14H2,1-2H3,(H,23,28)
InChIKeyFJGRBWMJHCQVOU-UHFFFAOYSA-N
XLogP3.06
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-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 5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide (CID 50977594) is 5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(Cn2cnc(-c3ccccc3)c2-c2nccn2CCOC)o1.
What is the InChIKey of 5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is FJGRBWMJHCQVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-23-22(28)18-9-8-17(30-18)14-27-15-25-19(16-6-4-3-5-7-16)20(27)21-24-10-11-26(21)12-13-29-2/h3-11,15H,12-14H2,1-2H3,(H,23,28).
What are the key properties of 5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide?
5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[1-(2-methoxyethyl)imidazol-2-yl]-4-phenylimidazol-1-yl]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 50977594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).