4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole

C12H19N3 — CID 123743806

IUPAC4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
SMILESCCc1nc(C2C=C(C)CN2)[nH]c1CC
InChIInChI=1S/C12H19N3/c1-4-9-10(5-2)15-12(14-9)11-6-8(3)7-13-11/h6,11,13H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyJIEUQOMQSFNLNB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.13
Rot. Bonds3

About 4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole

4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole (PubChem CID 123743806) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole.

Molecular Properties

Compound Name4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
PubChem CID123743806
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
SMILESCCc1nc(C2C=C(C)CN2)[nH]c1CC
InChIInChI=1S/C12H19N3/c1-4-9-10(5-2)15-12(14-9)11-6-8(3)7-13-11/h6,11,13H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyJIEUQOMQSFNLNB-UHFFFAOYSA-N
XLogP2.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole?
The IUPAC name of 4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole (CID 123743806) is 4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole.
What is the SMILES notation for 4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole?
The canonical SMILES for 4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole is CCc1nc(C2C=C(C)CN2)[nH]c1CC.
What is the InChIKey of 4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole?
The InChIKey is JIEUQOMQSFNLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-9-10(5-2)15-12(14-9)11-6-8(3)7-13-11/h6,11,13H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole?
4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole has a molecular weight of 205.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole is sourced from PubChem (CID 123743806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).