2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide

C14H18N4O2 — CID 107075037

IUPAC2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
SMILESNc1ccc(O)cc1C(=O)NCCCCn1ccnc1
InChIInChI=1S/C14H18N4O2/c15-13-4-3-11(19)9-12(13)14(20)17-5-1-2-7-18-8-6-16-10-18/h3-4,6,8-10,19H,1-2,5,7,15H2,(H,17,20)
InChIKeyJAQIVTCFUCWILR-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.38
Rot. Bonds6

About 2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide

2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide (PubChem CID 107075037) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
PubChem CID107075037
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
SMILESNc1ccc(O)cc1C(=O)NCCCCn1ccnc1
InChIInChI=1S/C14H18N4O2/c15-13-4-3-11(19)9-12(13)14(20)17-5-1-2-7-18-8-6-16-10-18/h3-4,6,8-10,19H,1-2,5,7,15H2,(H,17,20)
InChIKeyJAQIVTCFUCWILR-UHFFFAOYSA-N
XLogP1.38
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.38
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-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 89368560
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
4-amino-3-fluoro-N-(4-imidazol-1-ylbutyl)benzamide
CID 62681162
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide
CID 102705336
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide (CID 107075037) is 2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide is Nc1ccc(O)cc1C(=O)NCCCCn1ccnc1.
What is the InChIKey of 2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide?
The InChIKey is JAQIVTCFUCWILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-13-4-3-11(19)9-12(13)14(20)17-5-1-2-7-18-8-6-16-10-18/h3-4,6,8-10,19H,1-2,5,7,15H2,(H,17,20).
What are the key properties of 2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide?
2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide is sourced from PubChem (CID 107075037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).