4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane

C18H39N3 — CID 144563237

IUPAC4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane
SMILESCC.CC.CC.CC.CC1=CC(c2nc(C)c(C)[nH]2)NC1
InChIInChI=1S/C10H15N3.4C2H6/c1-6-4-9(11-5-6)10-12-7(2)8(3)13-10;4*1-2/h4,9,11H,5H2,1-3H3,(H,12,13);4*1-2H3
InChIKeyBFAXWCWWIBIMGX-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.72
Rot. Bonds1

About 4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane

4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane (PubChem CID 144563237) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane.

Molecular Properties

Compound Name4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane
PubChem CID144563237
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane
SMILESCC.CC.CC.CC.CC1=CC(c2nc(C)c(C)[nH]2)NC1
InChIInChI=1S/C10H15N3.4C2H6/c1-6-4-9(11-5-6)10-12-7(2)8(3)13-10;4*1-2/h4,9,11H,5H2,1-3H3,(H,12,13);4*1-2H3
InChIKeyBFAXWCWWIBIMGX-UHFFFAOYSA-N
XLogP5.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.72
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-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane?
The IUPAC name of 4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane (CID 144563237) is 4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane.
What is the SMILES notation for 4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane?
The canonical SMILES for 4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane is CC.CC.CC.CC.CC1=CC(c2nc(C)c(C)[nH]2)NC1.
What is the InChIKey of 4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane?
The InChIKey is BFAXWCWWIBIMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.4C2H6/c1-6-4-9(11-5-6)10-12-7(2)8(3)13-10;4*1-2/h4,9,11H,5H2,1-3H3,(H,12,13);4*1-2H3.
What are the key properties of 4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane?
4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane has a molecular weight of 297.53 g/mol, XLogP of 5.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole;ethane is sourced from PubChem (CID 144563237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).