2-methyl-5-prop-2-ynyl-1H-imidazole

C7H8N2 — CID 59481541

IUPAC2-methyl-5-prop-2-ynyl-1H-imidazole
SMILESC#CCc1cnc(C)[nH]1
InChIInChI=1S/C7H8N2/c1-3-4-7-5-8-6(2)9-7/h1,5H,4H2,2H3,(H,8,9)
InChIKeyCGCCHFXBNYSGSW-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.89
Rot. Bonds1

About 2-methyl-5-prop-2-ynyl-1H-imidazole

2-methyl-5-prop-2-ynyl-1H-imidazole (PubChem CID 59481541) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-methyl-5-prop-2-ynyl-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-prop-2-ynyl-1H-imidazole
PubChem CID59481541
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2-methyl-5-prop-2-ynyl-1H-imidazole
SMILESC#CCc1cnc(C)[nH]1
InChIInChI=1S/C7H8N2/c1-3-4-7-5-8-6(2)9-7/h1,5H,4H2,2H3,(H,8,9)
InChIKeyCGCCHFXBNYSGSW-UHFFFAOYSA-N
XLogP0.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-2-ynyl-1H-imidazole?
The IUPAC name of 2-methyl-5-prop-2-ynyl-1H-imidazole (CID 59481541) is 2-methyl-5-prop-2-ynyl-1H-imidazole.
What is the SMILES notation for 2-methyl-5-prop-2-ynyl-1H-imidazole?
The canonical SMILES for 2-methyl-5-prop-2-ynyl-1H-imidazole is C#CCc1cnc(C)[nH]1.
What is the InChIKey of 2-methyl-5-prop-2-ynyl-1H-imidazole?
The InChIKey is CGCCHFXBNYSGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-3-4-7-5-8-6(2)9-7/h1,5H,4H2,2H3,(H,8,9).
What are the key properties of 2-methyl-5-prop-2-ynyl-1H-imidazole?
2-methyl-5-prop-2-ynyl-1H-imidazole has a molecular weight of 120.15 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-2-ynyl-1H-imidazole is sourced from PubChem (CID 59481541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).