N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide

C17H18N4O2 — CID 129309588

IUPACN-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide
SMILESCn1c(NCCc2ccccc2)nc2cc(C(=O)NO)ccc21
InChIInChI=1S/C17H18N4O2/c1-21-15-8-7-13(16(22)20-23)11-14(15)19-17(21)18-10-9-12-5-3-2-4-6-12/h2-8,11,23H,9-10H2,1H3,(H,18,19)(H,20,22)
InChIKeyHIKRFZSEUFPTJU-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.35
Rot. Bonds5

About N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide

N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide (PubChem CID 129309588) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide
PubChem CID129309588
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide
SMILESCn1c(NCCc2ccccc2)nc2cc(C(=O)NO)ccc21
InChIInChI=1S/C17H18N4O2/c1-21-15-8-7-13(16(22)20-23)11-14(15)19-17(21)18-10-9-12-5-3-2-4-6-12/h2-8,11,23H,9-10H2,1H3,(H,18,19)(H,20,22)
InChIKeyHIKRFZSEUFPTJU-UHFFFAOYSA-N
XLogP2.35
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.35
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'}

Analyze N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide
CID 71815611
2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide
CID 177372430
4-[[(5-chloro-1-methylbenzimidazol-2-yl)amino]methyl]-N-hydroxybenzamide
CID 142463361
N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide
CID 11382208
N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide
CID 177372418
N-hydroxy-2-(2-phenylethyl)indazole-6-carboxamide
CID 169188075
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
1-methyl-2-(phenylmethoxycarbonylamino)benzimidazole-5-carboxylic acid
CID 155083666
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 177372410
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide?
The IUPAC name of N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide (CID 129309588) is N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide?
The canonical SMILES for N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide is Cn1c(NCCc2ccccc2)nc2cc(C(=O)NO)ccc21.
What is the InChIKey of N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide?
The InChIKey is HIKRFZSEUFPTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21-15-8-7-13(16(22)20-23)11-14(15)19-17(21)18-10-9-12-5-3-2-4-6-12/h2-8,11,23H,9-10H2,1H3,(H,18,19)(H,20,22).
What are the key properties of N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide?
N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 129309588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).