2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide

C22H24N6O2 — CID 155522595

IUPAC2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide
SMILES[H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCC(=O)NC1CC1
InChIInChI=1S/C22H24N6O2/c23-22(24)17-9-8-16(10-19(17)30-13-21(29)27-15-6-7-15)25-12-20-26-11-18(28-20)14-4-2-1-3-5-14/h1-5,8-11,15,25H,6-7,12-13H2,(H3,23,24)(H,26,28)(H,27,29)
InChIKeyIIDYPORARLHDCE-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.63
Rot. Bonds9

About 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide

2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide (PubChem CID 155522595) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide
PubChem CID155522595
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide
SMILES[H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCC(=O)NC1CC1
InChIInChI=1S/C22H24N6O2/c23-22(24)17-9-8-16(10-19(17)30-13-21(29)27-15-6-7-15)25-12-20-26-11-18(28-20)14-4-2-1-3-5-14/h1-5,8-11,15,25H,6-7,12-13H2,(H3,23,24)(H,26,28)(H,27,29)
InChIKeyIIDYPORARLHDCE-UHFFFAOYSA-N
XLogP2.63
TPSA128.91 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide 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 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide (CID 155522595) is 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide is [H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCC(=O)NC1CC1.
What is the InChIKey of 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide?
The InChIKey is IIDYPORARLHDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c23-22(24)17-9-8-16(10-19(17)30-13-21(29)27-15-6-7-15)25-12-20-26-11-18(28-20)14-4-2-1-3-5-14/h1-5,8-11,15,25H,6-7,12-13H2,(H3,23,24)(H,26,28)(H,27,29).
What are the key properties of 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide?
2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide has a molecular weight of 404.47 g/mol, XLogP of 2.63, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 155522595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).