2-methyl-4,5-dihydro-1H-imidazole;1-methylindole

C13H17N3 — CID 67729957

IUPAC2-methyl-4,5-dihydro-1H-imidazole;1-methylindole
SMILESCC1=NCCN1.Cn1ccc2ccccc21
InChIInChI=1S/C9H9N.C4H8N2/c1-10-7-6-8-4-2-3-5-9(8)10;1-4-5-2-3-6-4/h2-7H,1H3;2-3H2,1H3,(H,5,6)
InChIKeyGZUSGFXXRRNRIM-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.19
Rot. Bonds

About 2-methyl-4,5-dihydro-1H-imidazole;1-methylindole

2-methyl-4,5-dihydro-1H-imidazole;1-methylindole (PubChem CID 67729957) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-1H-imidazole;1-methylindole.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-1H-imidazole;1-methylindole
PubChem CID67729957
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-methyl-4,5-dihydro-1H-imidazole;1-methylindole
SMILESCC1=NCCN1.Cn1ccc2ccccc21
InChIInChI=1S/C9H9N.C4H8N2/c1-10-7-6-8-4-2-3-5-9(8)10;1-4-5-2-3-6-4/h2-7H,1H3;2-3H2,1H3,(H,5,6)
InChIKeyGZUSGFXXRRNRIM-UHFFFAOYSA-N
XLogP2.19
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-1H-imidazole;1-methylindole?
The IUPAC name of 2-methyl-4,5-dihydro-1H-imidazole;1-methylindole (CID 67729957) is 2-methyl-4,5-dihydro-1H-imidazole;1-methylindole.
What is the SMILES notation for 2-methyl-4,5-dihydro-1H-imidazole;1-methylindole?
The canonical SMILES for 2-methyl-4,5-dihydro-1H-imidazole;1-methylindole is CC1=NCCN1.Cn1ccc2ccccc21.
What is the InChIKey of 2-methyl-4,5-dihydro-1H-imidazole;1-methylindole?
The InChIKey is GZUSGFXXRRNRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C4H8N2/c1-10-7-6-8-4-2-3-5-9(8)10;1-4-5-2-3-6-4/h2-7H,1H3;2-3H2,1H3,(H,5,6).
What are the key properties of 2-methyl-4,5-dihydro-1H-imidazole;1-methylindole?
2-methyl-4,5-dihydro-1H-imidazole;1-methylindole has a molecular weight of 215.30 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-1H-imidazole;1-methylindole is sourced from PubChem (CID 67729957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).