N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide

C19H20N4O4 — CID 162670578

IUPACN-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide
SMILESO=C(CCCCOc1ccccc1C(=O)Nc1cccc2[nH]cnc12)NO
InChIInChI=1S/C19H20N4O4/c24-17(23-26)10-3-4-11-27-16-9-2-1-6-13(16)19(25)22-15-8-5-7-14-18(15)21-12-20-14/h1-2,5-9,12,26H,3-4,10-11H2,(H,20,21)(H,22,25)(H,23,24)
InChIKeyGTCSBZSXTODQCG-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.87
Rot. Bonds8

About N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide

N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide (PubChem CID 162670578) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide
PubChem CID162670578
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide
SMILESO=C(CCCCOc1ccccc1C(=O)Nc1cccc2[nH]cnc12)NO
InChIInChI=1S/C19H20N4O4/c24-17(23-26)10-3-4-11-27-16-9-2-1-6-13(16)19(25)22-15-8-5-7-14-18(15)21-12-20-14/h1-2,5-9,12,26H,3-4,10-11H2,(H,20,21)(H,22,25)(H,23,24)
InChIKeyGTCSBZSXTODQCG-UHFFFAOYSA-N
XLogP2.87
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(1H-benzimidazol-2-yl)-2-methoxybenzamide
CID 854418
N-(1H-benzimidazol-2-yl)-2-(difluoromethoxy)benzamide
CID 2127514
N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 1509330
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 2787162
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312
6-(2-Propoxy-phenyl)-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one
CID 135525517
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 663726
2-methoxy-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 751281
2-methoxy-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 1509784
N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 1512074
N-{2-[(4-acetyl-1-piperazinyl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-methoxybenzamide
CID 2970016
2-methoxy-N-{1-methyl-2-[2-(propanoylamino)ethyl]-1H-benzimidazol-5-yl}benzamide
CID 4895369

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide?
The IUPAC name of N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide (CID 162670578) is N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide.
What is the SMILES notation for N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide?
The canonical SMILES for N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide is O=C(CCCCOc1ccccc1C(=O)Nc1cccc2[nH]cnc12)NO.
What is the InChIKey of N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide?
The InChIKey is GTCSBZSXTODQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-17(23-26)10-3-4-11-27-16-9-2-1-6-13(16)19(25)22-15-8-5-7-14-18(15)21-12-20-14/h1-2,5-9,12,26H,3-4,10-11H2,(H,20,21)(H,22,25)(H,23,24).
What are the key properties of N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide?
N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide has a molecular weight of 368.39 g/mol, XLogP of 2.87, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-4-yl)-2-[5-(hydroxyamino)-5-oxopentoxy]benzamide is sourced from PubChem (CID 162670578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).