3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide

C9H14N4O — CID 83878931

IUPAC3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide
SMILESN/C(=N/O)c1cncn1C1CCCC1
InChIInChI=1S/C9H14N4O/c10-9(12-14)8-5-11-6-13(8)7-3-1-2-4-7/h5-7,14H,1-4H2,(H2,10,12)
InChIKeyQMAXEAMTBGQUNF-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.09
Rot. Bonds2

About 3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide

3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide (PubChem CID 83878931) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide.

Molecular Properties

Compound Name3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide
PubChem CID83878931
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide
SMILESN/C(=N/O)c1cncn1C1CCCC1
InChIInChI=1S/C9H14N4O/c10-9(12-14)8-5-11-6-13(8)7-3-1-2-4-7/h5-7,14H,1-4H2,(H2,10,12)
InChIKeyQMAXEAMTBGQUNF-UHFFFAOYSA-N
XLogP1.09
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.09
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

3-cyclopentylimidazole-4-carboxylic acid
CID 83875408
3-cyclobutylimidazole-4-carboximidamide
CID 83873239
methyl 3-cyclohexylimidazole-4-carboxylate
CID 14497626
2-(3-cyclopropylimidazol-4-yl)-N'-hydroxyethanimidamide
CID 83875431
1-cyclobutyl-5-[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]imidazole;methanamine
CID 142340334
5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
CID 53398878
2-(3-cyclooctylimidazol-4-yl)ethanamine
CID 114716513
3-(3-cyclohexylimidazol-4-yl)propan-1-amine
CID 83883482
2-(3-cyclopentylimidazol-4-yl)propanoic acid
CID 83883850
3-(oxan-4-yl)imidazole-4-carboxylic acid
CID 83679108
1-(3-cyclohexylimidazol-4-yl)propan-2-one
CID 83882909
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide?
The IUPAC name of 3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide (CID 83878931) is 3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide.
What is the SMILES notation for 3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide?
The canonical SMILES for 3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide is N/C(=N/O)c1cncn1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide?
The InChIKey is QMAXEAMTBGQUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-9(12-14)8-5-11-6-13(8)7-3-1-2-4-7/h5-7,14H,1-4H2,(H2,10,12).
What are the key properties of 3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide?
3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N'-hydroxyimidazole-4-carboximidamide is sourced from PubChem (CID 83878931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).