2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide

C23H23N5O3 — CID 172677140

IUPAC2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide
SMILESCCCNNC(=O)c1ccc(CNC(=O)c2cnc(-c3ccc4occc4c3)[nH]2)cc1
InChIInChI=1S/C23H23N5O3/c1-2-10-26-28-22(29)16-5-3-15(4-6-16)13-25-23(30)19-14-24-21(27-19)18-7-8-20-17(12-18)9-11-31-20/h3-9,11-12,14,26H,2,10,13H2,1H3,(H,24,27)(H,25,30)(H,28,29)
InChIKeyNVEXGSNLIUWPBT-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.40
Rot. Bonds8

About 2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide

2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 172677140) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide
PubChem CID172677140
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide
SMILESCCCNNC(=O)c1ccc(CNC(=O)c2cnc(-c3ccc4occc4c3)[nH]2)cc1
InChIInChI=1S/C23H23N5O3/c1-2-10-26-28-22(29)16-5-3-15(4-6-16)13-25-23(30)19-14-24-21(27-19)18-7-8-20-17(12-18)9-11-31-20/h3-9,11-12,14,26H,2,10,13H2,1H3,(H,24,27)(H,25,30)(H,28,29)
InChIKeyNVEXGSNLIUWPBT-UHFFFAOYSA-N
XLogP3.40
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide (CID 172677140) is 2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide is CCCNNC(=O)c1ccc(CNC(=O)c2cnc(-c3ccc4occc4c3)[nH]2)cc1.
What is the InChIKey of 2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is NVEXGSNLIUWPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-2-10-26-28-22(29)16-5-3-15(4-6-16)13-25-23(30)19-14-24-21(27-19)18-7-8-20-17(12-18)9-11-31-20/h3-9,11-12,14,26H,2,10,13H2,1H3,(H,24,27)(H,25,30)(H,28,29).
What are the key properties of 2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide?
2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.40, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 172677140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).