N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide

C14H19N5O — CID 76982032

IUPACN'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(N(C)Cc2nccn2C)c1
InChIInChI=1S/C14H19N5O/c1-10-4-5-11(14(15)17-20)12(8-10)19(3)9-13-16-6-7-18(13)2/h4-8,20H,9H2,1-3H3,(H2,15,17)
InChIKeyANTJNSYSYWUEHW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.46
Rot. Bonds4

About N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide

N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide (PubChem CID 76982032) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide
PubChem CID76982032
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(N(C)Cc2nccn2C)c1
InChIInChI=1S/C14H19N5O/c1-10-4-5-11(14(15)17-20)12(8-10)19(3)9-13-16-6-7-18(13)2/h4-8,20H,9H2,1-3H3,(H2,15,17)
InChIKeyANTJNSYSYWUEHW-UHFFFAOYSA-N
XLogP1.46
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide (CID 76982032) is N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide is Cc1ccc(C(N)=NO)c(N(C)Cc2nccn2C)c1.
What is the InChIKey of N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide?
The InChIKey is ANTJNSYSYWUEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-4-5-11(14(15)17-20)12(8-10)19(3)9-13-16-6-7-18(13)2/h4-8,20H,9H2,1-3H3,(H2,15,17).
What are the key properties of N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide?
N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide has a molecular weight of 273.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 76982032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).