3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide

C20H20N4O2 — CID 45485639

IUPAC3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide
SMILESNC(=O)C1CC(n2cnc(NC(=O)Cc3cccc4ccccc34)c2)C1
InChIInChI=1S/C20H20N4O2/c21-20(26)15-8-16(9-15)24-11-18(22-12-24)23-19(25)10-14-6-3-5-13-4-1-2-7-17(13)14/h1-7,11-12,15-16H,8-10H2,(H2,21,26)(H,23,25)
InChIKeyYJGWBXGIQWQMLW-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.65
Rot. Bonds5

About 3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide

3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide (PubChem CID 45485639) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide
PubChem CID45485639
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide
SMILESNC(=O)C1CC(n2cnc(NC(=O)Cc3cccc4ccccc34)c2)C1
InChIInChI=1S/C20H20N4O2/c21-20(26)15-8-16(9-15)24-11-18(22-12-24)23-19(25)10-14-6-3-5-13-4-1-2-7-17(13)14/h1-7,11-12,15-16H,8-10H2,(H2,21,26)(H,23,25)
InChIKeyYJGWBXGIQWQMLW-UHFFFAOYSA-N
XLogP2.65
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-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 3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide (CID 45485639) is 3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide is NC(=O)C1CC(n2cnc(NC(=O)Cc3cccc4ccccc34)c2)C1.
What is the InChIKey of 3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide?
The InChIKey is YJGWBXGIQWQMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-20(26)15-8-16(9-15)24-11-18(22-12-24)23-19(25)10-14-6-3-5-13-4-1-2-7-17(13)14/h1-7,11-12,15-16H,8-10H2,(H2,21,26)(H,23,25).
What are the key properties of 3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide?
3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-naphthalen-1-ylacetyl)amino]imidazol-1-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 45485639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).