1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide

C11H11FN4O — CID 136954290

IUPAC1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide
SMILESNC(=NO)c1nccn1Cc1cccc(F)c1
InChIInChI=1S/C11H11FN4O/c12-9-3-1-2-8(6-9)7-16-5-4-14-11(16)10(13)15-17/h1-6,17H,7H2,(H2,13,15)
InChIKeyMVAMQVFPDPVRAL-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.16
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide

1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide (PubChem CID 136954290) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide
PubChem CID136954290
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide
SMILESNC(=NO)c1nccn1Cc1cccc(F)c1
InChIInChI=1S/C11H11FN4O/c12-9-3-1-2-8(6-9)7-16-5-4-14-11(16)10(13)15-17/h1-6,17H,7H2,(H2,13,15)
InChIKeyMVAMQVFPDPVRAL-UHFFFAOYSA-N
XLogP1.16
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.16
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

[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886
N'-hydroxy-3-[(2-methylimidazol-1-yl)methyl]benzenecarboximidamide
CID 24708897
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
1-[(3-fluorophenyl)methyl]pyrrole-2-carbothioamide
CID 114654140
3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 102567348
1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethanamine
CID 63969593
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
1-(2-ethylsulfanylethyl)-N'-hydroxyimidazole-2-carboximidamide
CID 136981687
N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24695013
1-[(3-fluorophenyl)methyl]indole-4-carbothioamide
CID 107919343
1-[(3-fluorophenyl)methyl]triazole
CID 12811470
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide
CID 136693333

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide (CID 136954290) is 1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide is NC(=NO)c1nccn1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide?
The InChIKey is MVAMQVFPDPVRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c12-9-3-1-2-8(6-9)7-16-5-4-14-11(16)10(13)15-17/h1-6,17H,7H2,(H2,13,15).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide?
1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide has a molecular weight of 234.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide is sourced from PubChem (CID 136954290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).