4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide

C11H17N5 — CID 143020873

IUPAC4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide
SMILESC=C(C)/N=C(\N)c1[nH]cnc1/N=C\CCC
InChIInChI=1S/C11H17N5/c1-4-5-6-13-11-9(14-7-15-11)10(12)16-8(2)3/h6-7H,2,4-5H2,1,3H3,(H2,12,16)(H,14,15)/b13-6-
InChIKeyLTNBEIUOGMOFDV-MLPAPPSSSA-N
MW219.29 g/mol
LogP2.15
Rot. Bonds5

About 4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide

4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide (PubChem CID 143020873) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide.

Molecular Properties

Compound Name4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide
PubChem CID143020873
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide
SMILESC=C(C)/N=C(\N)c1[nH]cnc1/N=C\CCC
InChIInChI=1S/C11H17N5/c1-4-5-6-13-11-9(14-7-15-11)10(12)16-8(2)3/h6-7H,2,4-5H2,1,3H3,(H2,12,16)(H,14,15)/b13-6-
InChIKeyLTNBEIUOGMOFDV-MLPAPPSSSA-N
XLogP2.15
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide?
The IUPAC name of 4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide (CID 143020873) is 4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide.
What is the SMILES notation for 4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide?
The canonical SMILES for 4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide is C=C(C)/N=C(\N)c1[nH]cnc1/N=C\CCC.
What is the InChIKey of 4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide?
The InChIKey is LTNBEIUOGMOFDV-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H17N5/c1-4-5-6-13-11-9(14-7-15-11)10(12)16-8(2)3/h6-7H,2,4-5H2,1,3H3,(H2,12,16)(H,14,15)/b13-6-.
What are the key properties of 4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide?
4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide has a molecular weight of 219.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide is sourced from PubChem (CID 143020873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).