4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide

C12H14N4 — CID 67124587

IUPAC4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cnc(CC)[nH]2)cc1
InChIInChI=1S/C12H14N4/c1-2-11-15-7-10(16-11)8-3-5-9(6-4-8)12(13)14/h3-7H,2H2,1H3,(H3,13,14)(H,15,16)
InChIKeyARDPVWNYQJADKH-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.92
Rot. Bonds3

About 4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide

4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide (PubChem CID 67124587) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide
PubChem CID67124587
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cnc(CC)[nH]2)cc1
InChIInChI=1S/C12H14N4/c1-2-11-15-7-10(16-11)8-3-5-9(6-4-8)12(13)14/h3-7H,2H2,1H3,(H3,13,14)(H,15,16)
InChIKeyARDPVWNYQJADKH-UHFFFAOYSA-N
XLogP1.92
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1H-imidazol-2-yl]propanoic acid
CID 19376756
4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide
CID 77106448
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
benzenecarboximidamide;2,5-diphenyl-1H-imidazole;ethane;methanol;1-phenylpropan-1-one
CID 157191834
N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]benzamide
CID 25216176
[5-(2-ethyl-1H-imidazol-5-yl)-2-methylphenyl]methanamine
CID 115029246
3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide
CID 58290735
5-(2-ethyl-1H-imidazol-5-yl)-2-methoxyaniline
CID 115030164
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325
4-carbamimidoyl-N-[2-phenyl-1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 66675175
2-[2-(4-carbamimidoylphenyl)-1H-imidazol-5-yl]-3H-benzimidazole-5-carboximidamide
CID 122219176
ethane;4-phenylbenzenecarboximidamide
CID 91221015

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide?
The IUPAC name of 4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide (CID 67124587) is 4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide?
The canonical SMILES for 4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cnc(CC)[nH]2)cc1.
What is the InChIKey of 4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide?
The InChIKey is ARDPVWNYQJADKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-11-15-7-10(16-11)8-3-5-9(6-4-8)12(13)14/h3-7H,2H2,1H3,(H3,13,14)(H,15,16).
What are the key properties of 4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide?
4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide has a molecular weight of 214.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide is sourced from PubChem (CID 67124587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).