4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide

C13H16N4 — CID 90124246

IUPAC4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cn(CC)c(C)n2)cc1
InChIInChI=1S/C13H16N4/c1-3-17-8-12(16-9(17)2)10-4-6-11(7-5-10)13(14)15/h4-8H,3H2,1-2H3,(H3,14,15)
InChIKeyHFASEIQKSOERNV-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.16
Rot. Bonds3

About 4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide

4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide (PubChem CID 90124246) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide
PubChem CID90124246
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cn(CC)c(C)n2)cc1
InChIInChI=1S/C13H16N4/c1-3-17-8-12(16-9(17)2)10-4-6-11(7-5-10)13(14)15/h4-8H,3H2,1-2H3,(H3,14,15)
InChIKeyHFASEIQKSOERNV-UHFFFAOYSA-N
XLogP2.16
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.16
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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Related Compounds

2-[(1S)-1-[4-(4-carbamimidoylphenyl)-1-ethylimidazol-2-yl]-2-phenylethyl]benzamide
CID 118365696
4-(2-tert-butyl-1-methylimidazol-4-yl)benzenecarboximidamide
CID 59836613
acetic acid;4-[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyridin-6-yl]benzenecarboximidamide
CID 69254410
4-[4-(4-carbamimidoylphenyl)triazol-1-yl]-3-hydroxybenzenecarboximidamide
CID 44628068
methyl 3-[4-[4-(4-carbamimidoylphenyl)-1-methylimidazol-2-yl]phenyl]propanoate
CID 19376405
methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-methylimidazol-4-yl]propanoate
CID 67813917
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
1-ethylpyrrole-3-carboximidamide
CID 119082207
2-[2-methyl-4-(4-propylphenyl)imidazol-1-yl]ethanamine
CID 95456247
4-hexanoylbenzenecarboximidamide
CID 57228852
4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide
CID 67124587

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide?
The IUPAC name of 4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide (CID 90124246) is 4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide?
The canonical SMILES for 4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cn(CC)c(C)n2)cc1.
What is the InChIKey of 4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide?
The InChIKey is HFASEIQKSOERNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-17-8-12(16-9(17)2)10-4-6-11(7-5-10)13(14)15/h4-8H,3H2,1-2H3,(H3,14,15).
What are the key properties of 4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide?
4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide has a molecular weight of 228.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide is sourced from PubChem (CID 90124246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).