2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide

C11H11ClN4O — CID 62496169

IUPAC2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide
SMILESCc1nccn1-c1cccc(Cl)c1/C(N)=N/O
InChIInChI=1S/C11H11ClN4O/c1-7-14-5-6-16(7)9-4-2-3-8(12)10(9)11(13)15-17/h2-6,17H,1H3,(H2,13,15)
InChIKeyGPVQRNYMSUTJNN-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.93
Rot. Bonds2

About 2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide

2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide (PubChem CID 62496169) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide
PubChem CID62496169
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide
SMILESCc1nccn1-c1cccc(Cl)c1/C(N)=N/O
InChIInChI=1S/C11H11ClN4O/c1-7-14-5-6-16(7)9-4-2-3-8(12)10(9)11(13)15-17/h2-6,17H,1H3,(H2,13,15)
InChIKeyGPVQRNYMSUTJNN-UHFFFAOYSA-N
XLogP1.93
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 114904167
1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole
CID 28946545
N'-hydroxy-5-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 107930064
N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 62308838
2-chloro-N'-hydroxy-6-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 76945351
2-chloro-6-(1,3-dihydroisoindol-2-yl)-N'-hydroxybenzenecarboximidamide
CID 76945118
2-chloro-N'-hydroxy-6-thiomorpholin-4-ylbenzenecarboximidamide
CID 76945411
2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76945319
2-chloro-N'-hydroxy-6-indazol-1-ylbenzenecarboximidamide
CID 76945039
2-(2-methylimidazol-1-yl)aniline;hydrochloride
CID 126802319
2-chloro-N'-hydroxy-6-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77002018
2-chloro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 77000772

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide (CID 62496169) is 2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide is Cc1nccn1-c1cccc(Cl)c1/C(N)=N/O.
What is the InChIKey of 2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide?
The InChIKey is GPVQRNYMSUTJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-14-5-6-16(7)9-4-2-3-8(12)10(9)11(13)15-17/h2-6,17H,1H3,(H2,13,15).
What are the key properties of 2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide?
2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide has a molecular weight of 250.69 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 62496169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).