3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde

C9H16N2O — CID 142634875

IUPAC3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde
SMILESCCCC1NC(C=O)=CN1CC
InChIInChI=1S/C9H16N2O/c1-3-5-9-10-8(7-12)6-11(9)4-2/h6-7,9-10H,3-5H2,1-2H3
InChIKeyNSMUSGZFZIRUFH-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.08
Rot. Bonds4

About 3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde

3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde (PubChem CID 142634875) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde
PubChem CID142634875
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde
SMILESCCCC1NC(C=O)=CN1CC
InChIInChI=1S/C9H16N2O/c1-3-5-9-10-8(7-12)6-11(9)4-2/h6-7,9-10H,3-5H2,1-2H3
InChIKeyNSMUSGZFZIRUFH-UHFFFAOYSA-N
XLogP1.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde 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

3-(Dimethylamino)-2-(propan-2-ylamino)prop-2-enal
CID 541490
3-(Dimethylamino)-2-(isopropylamino)acrolein
CID 5364086
(Z)-3-(dimethylamino)-2-(propan-2-ylamino)prop-2-enal
CID 21159827
3-butyl-2-sulfanylidene-1H-imidazole-5-carbaldehyde
CID 21628928
2-Butyl-3-phosphanyl-1,2-dihydroimidazole-5-carbaldehyde
CID 88052237
2,3-Dimethyl-1,2-dihydroimidazole-5-carbaldehyde
CID 88240919
2,2-Dimethyl-1,3-dihydroimidazole-4-carbaldehyde
CID 88970928
2-methyl-2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 88971063
2,3-dihydro-1H-imidazole-4-carbaldehyde
CID 139752034
3-Methyl-1,2-dihydroimidazole-4-carbaldehyde
CID 143200931
Ethane;2-sulfanylidene-1,3-dihydroimidazole-4-carbaldehyde
CID 143328329
3-[(1R)-1-pentyliodanuidylpropyl]-1,2-dihydroimidazole-5-carbaldehyde
CID 149538226

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde?
The IUPAC name of 3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde (CID 142634875) is 3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde.
What is the SMILES notation for 3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde?
The canonical SMILES for 3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde is CCCC1NC(C=O)=CN1CC.
What is the InChIKey of 3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde?
The InChIKey is NSMUSGZFZIRUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-9-10-8(7-12)6-11(9)4-2/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde?
3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propyl-1,2-dihydroimidazole-5-carbaldehyde is sourced from PubChem (CID 142634875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).