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

C9H13N3 — CID 123439565

IUPAC5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
SMILESCC1=CC(c2ncc(C)[nH]2)NC1
InChIInChI=1S/C9H13N3/c1-6-3-8(10-4-6)9-11-5-7(2)12-9/h3,5,8,10H,4H2,1-2H3,(H,11,12)
InChIKeyOJHSWTAGLGWIFF-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.31
Rot. Bonds1

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

5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole (PubChem CID 123439565) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
PubChem CID123439565
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
SMILESCC1=CC(c2ncc(C)[nH]2)NC1
InChIInChI=1S/C9H13N3/c1-6-3-8(10-4-6)9-11-5-7(2)12-9/h3,5,8,10H,4H2,1-2H3,(H,11,12)
InChIKeyOJHSWTAGLGWIFF-UHFFFAOYSA-N
XLogP1.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.31
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 5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole?
The IUPAC name of 5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole (CID 123439565) is 5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole.
What is the SMILES notation for 5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole?
The canonical SMILES for 5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole is CC1=CC(c2ncc(C)[nH]2)NC1.
What is the InChIKey of 5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole?
The InChIKey is OJHSWTAGLGWIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-3-8(10-4-6)9-11-5-7(2)12-9/h3,5,8,10H,4H2,1-2H3,(H,11,12).
What are the key properties of 5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole?
5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole has a molecular weight of 163.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole is sourced from PubChem (CID 123439565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).