N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide

C18H20N4O2 — CID 91225825

IUPACN-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide
SMILESCCCn1c(Nc2ccc(C(=O)NO)cc2)nc2cc(C)ccc21
InChIInChI=1S/C18H20N4O2/c1-3-10-22-16-9-4-12(2)11-15(16)20-18(22)19-14-7-5-13(6-8-14)17(23)21-24/h4-9,11,24H,3,10H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyFJAAARVPZVJKLF-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.62
Rot. Bonds5

About N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide

N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide (PubChem CID 91225825) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide
PubChem CID91225825
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide
SMILESCCCn1c(Nc2ccc(C(=O)NO)cc2)nc2cc(C)ccc21
InChIInChI=1S/C18H20N4O2/c1-3-10-22-16-9-4-12(2)11-15(16)20-18(22)19-14-7-5-13(6-8-14)17(23)21-24/h4-9,11,24H,3,10H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyFJAAARVPZVJKLF-UHFFFAOYSA-N
XLogP3.62
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide?
The IUPAC name of N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide (CID 91225825) is N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide is CCCn1c(Nc2ccc(C(=O)NO)cc2)nc2cc(C)ccc21.
What is the InChIKey of N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide?
The InChIKey is FJAAARVPZVJKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-10-22-16-9-4-12(2)11-15(16)20-18(22)19-14-7-5-13(6-8-14)17(23)21-24/h4-9,11,24H,3,10H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide?
N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide has a molecular weight of 324.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide is sourced from PubChem (CID 91225825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).