1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole

C15H23N5 — CID 157299568

IUPAC1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole
SMILESCc1cn(C)cn1.Cc1nccn1C.Cn1cccc1
InChIInChI=1S/2C5H8N2.C5H7N/c1-5-3-7(2)4-6-5;1-5-6-3-4-7(5)2;1-6-4-2-3-5-6/h2*3-4H,1-2H3;2-5H,1H3
InChIKeyBBSXRYFCBLQNGR-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.48
Rot. Bonds

About 1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole

1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole (PubChem CID 157299568) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole.

Molecular Properties

Compound Name1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole
PubChem CID157299568
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole
SMILESCc1cn(C)cn1.Cc1nccn1C.Cn1cccc1
InChIInChI=1S/2C5H8N2.C5H7N/c1-5-3-7(2)4-6-5;1-5-6-3-4-7(5)2;1-6-4-2-3-5-6/h2*3-4H,1-2H3;2-5H,1H3
InChIKeyBBSXRYFCBLQNGR-UHFFFAOYSA-N
XLogP2.48
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole?
The IUPAC name of 1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole (CID 157299568) is 1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole.
What is the SMILES notation for 1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole?
The canonical SMILES for 1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole is Cc1cn(C)cn1.Cc1nccn1C.Cn1cccc1.
What is the InChIKey of 1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole?
The InChIKey is BBSXRYFCBLQNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2.C5H7N/c1-5-3-7(2)4-6-5;1-5-6-3-4-7(5)2;1-6-4-2-3-5-6/h2*3-4H,1-2H3;2-5H,1H3.
What are the key properties of 1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole?
1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole has a molecular weight of 273.38 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;1,4-dimethylimidazole;1-methylpyrrole is sourced from PubChem (CID 157299568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).