2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide

C19H26N4O5 — CID 163217043

IUPAC2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)[nH]2)c(OC)c1
InChIInChI=1S/C19H26N4O5/c1-27-13-8-9-14(16(11-13)28-2)18-21-12-15(22-18)19(25)20-10-6-4-3-5-7-17(24)23-26/h8-9,11-12,26H,3-7,10H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyZKSQKXYNAYAFIG-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.28
Rot. Bonds11

About 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide

2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide (PubChem CID 163217043) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide
PubChem CID163217043
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)[nH]2)c(OC)c1
InChIInChI=1S/C19H26N4O5/c1-27-13-8-9-14(16(11-13)28-2)18-21-12-15(22-18)19(25)20-10-6-4-3-5-7-17(24)23-26/h8-9,11-12,26H,3-7,10H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyZKSQKXYNAYAFIG-UHFFFAOYSA-N
XLogP2.28
TPSA125.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide (CID 163217043) is 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide is COc1ccc(-c2ncc(C(=O)NCCCCCCC(=O)NO)[nH]2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide?
The InChIKey is ZKSQKXYNAYAFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-27-13-8-9-14(16(11-13)28-2)18-21-12-15(22-18)19(25)20-10-6-4-3-5-7-17(24)23-26/h8-9,11-12,26H,3-7,10H2,1-2H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.28, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 163217043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).