N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide

C17H18N4O2 — CID 177372418

IUPACN-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide
SMILESCc1ccccc1NCc1nc2cc(C(=O)NO)ccc2n1C
InChIInChI=1S/C17H18N4O2/c1-11-5-3-4-6-13(11)18-10-16-19-14-9-12(17(22)20-23)7-8-15(14)21(16)2/h3-9,18,23H,10H2,1-2H3,(H,20,22)
InChIKeyYKQODPWRBKNGGR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.61
Rot. Bonds4

About N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide

N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide (PubChem CID 177372418) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide
PubChem CID177372418
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide
SMILESCc1ccccc1NCc1nc2cc(C(=O)NO)ccc2n1C
InChIInChI=1S/C17H18N4O2/c1-11-5-3-4-6-13(11)18-10-16-19-14-9-12(17(22)20-23)7-8-15(14)21(16)2/h3-9,18,23H,10H2,1-2H3,(H,20,22)
InChIKeyYKQODPWRBKNGGR-UHFFFAOYSA-N
XLogP2.61
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.61
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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Related Compounds

2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
2-(anilinomethyl)-1-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 177372410
2-[(1S)-1-(benzylamino)ethyl]-N-hydroxy-1-methylbenzimidazole-5-carboxamide
CID 177372430
N-hydroxy-1-methyl-2-(2-phenylethylamino)benzimidazole-5-carboxamide
CID 129309588
N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide
CID 71815611
4-methyl-N-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]benzamide
CID 46260906
1-[4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]-3-nitrophenyl]ethanone
CID 133480344
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
CID 63757268
N-(4-bromophenyl)-2-(2,6-dimethylanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562326
N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide
CID 100776792
2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 104722911

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide?
The IUPAC name of N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide (CID 177372418) is N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide is Cc1ccccc1NCc1nc2cc(C(=O)NO)ccc2n1C.
What is the InChIKey of N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide?
The InChIKey is YKQODPWRBKNGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-5-3-4-6-13(11)18-10-16-19-14-9-12(17(22)20-23)7-8-15(14)21(16)2/h3-9,18,23H,10H2,1-2H3,(H,20,22).
What are the key properties of N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide?
N-hydroxy-1-methyl-2-[(2-methylanilino)methyl]benzimidazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.61, 4 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-methylanilino)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 177372418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).