3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide

C9H16N4 — CID 42614727

IUPAC3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCn1cc(C)nc1CC
InChIInChI=1S/C9H16N4/c1-3-9-12-7(2)6-13(9)5-4-8(10)11/h6H,3-5H2,1-2H3,(H3,10,11)
InChIKeyBLGONQSXYBYFNK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.08
Rot. Bonds4

About 3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide

3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide (PubChem CID 42614727) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide.

Molecular Properties

Compound Name3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide
PubChem CID42614727
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCn1cc(C)nc1CC
InChIInChI=1S/C9H16N4/c1-3-9-12-7(2)6-13(9)5-4-8(10)11/h6H,3-5H2,1-2H3,(H3,10,11)
InChIKeyBLGONQSXYBYFNK-UHFFFAOYSA-N
XLogP1.08
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.08
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'}

Analyze 3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethyl-4-methylimidazol-1-yl)methanamine
CID 141279094
ethane;2-ethyl-4-methyl-1-propylimidazole
CID 156794089
2-ethyl-1-(2-isocyanoethyl)-4-methylimidazole
CID 168830546
3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide
CID 83967829
2-ethyl-4-methyl-1-prop-2-enylimidazole
CID 19066610
2-(2-ethyl-4-methylimidazol-1-yl)acetaldehyde
CID 89011423
2-ethyl-4-methylimidazol-1-amine
CID 154091770
1-[3-(2-ethyl-4-methylimidazol-1-yl)propoxy]butan-2-ol
CID 126645258
6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine
CID 67940125
3-(3,5-dichloro-2-oxo-1-pyridinyl)propanimidamide
CID 83967830
(1-ethyl-4-methylimidazol-2-yl)methanol
CID 117187857
5-(5,6-dimethylbenzimidazol-1-yl)pentanimidamide
CID 54966278

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide?
The IUPAC name of 3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide (CID 42614727) is 3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide.
What is the SMILES notation for 3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide?
The canonical SMILES for 3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide is [H]/N=C(\N)CCn1cc(C)nc1CC.
What is the InChIKey of 3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide?
The InChIKey is BLGONQSXYBYFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-9-12-7(2)6-13(9)5-4-8(10)11/h6H,3-5H2,1-2H3,(H3,10,11).
What are the key properties of 3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide?
3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide has a molecular weight of 180.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-4-methylimidazol-1-yl)propanimidamide is sourced from PubChem (CID 42614727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).