N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide

C16H15N3O2 — CID 71502389

IUPACN-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
SMILESCc1ccc2c(c1)ncn2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H15N3O2/c1-11-2-7-15-14(8-11)17-10-19(15)9-12-3-5-13(6-4-12)16(20)18-21/h2-8,10,21H,9H2,1H3,(H,18,20)
InChIKeyKMDKKYWNAADDTB-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.51
Rot. Bonds3

About N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide

N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide (PubChem CID 71502389) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
PubChem CID71502389
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
SMILESCc1ccc2c(c1)ncn2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C16H15N3O2/c1-11-2-7-15-14(8-11)17-10-19(15)9-12-3-5-13(6-4-12)16(20)18-21/h2-8,10,21H,9H2,1H3,(H,18,20)
InChIKeyKMDKKYWNAADDTB-UHFFFAOYSA-N
XLogP2.51
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylbenzimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide (CID 71502389) is N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide is Cc1ccc2c(c1)ncn2Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide?
The InChIKey is KMDKKYWNAADDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-2-7-15-14(8-11)17-10-19(15)9-12-3-5-13(6-4-12)16(20)18-21/h2-8,10,21H,9H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide?
N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide has a molecular weight of 281.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 71502389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).