5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide

C13H16N4O2 — CID 89368560

IUPAC5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide
SMILESNc1ccc(O)c(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C13H16N4O2/c14-10-2-3-12(18)11(8-10)13(19)16-4-1-6-17-7-5-15-9-17/h2-3,5,7-9,18H,1,4,6,14H2,(H,16,19)
InChIKeyPVUYTAZZEYSRPD-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.99
Rot. Bonds5

About 5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide

5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 89368560) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID89368560
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide
SMILESNc1ccc(O)c(C(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C13H16N4O2/c14-10-2-3-12(18)11(8-10)13(19)16-4-1-6-17-7-5-15-9-17/h2-3,5,7-9,18H,1,4,6,14H2,(H,16,19)
InChIKeyPVUYTAZZEYSRPD-UHFFFAOYSA-N
XLogP0.99
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
CID 107075037
5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide
CID 47099001
5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 60906487
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 55042022
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide (CID 89368560) is 5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide is Nc1ccc(O)c(C(=O)NCCCn2ccnc2)c1.
What is the InChIKey of 5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is PVUYTAZZEYSRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-10-2-3-12(18)11(8-10)13(19)16-4-1-6-17-7-5-15-9-17/h2-3,5,7-9,18H,1,4,6,14H2,(H,16,19).
What are the key properties of 5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide?
5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 260.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 89368560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).