2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole

C11H16N4 — CID 102097166

IUPAC2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole
SMILESCc1nccn1CCCn1ccnc1C
InChIInChI=1S/C11H16N4/c1-10-12-4-8-14(10)6-3-7-15-9-5-13-11(15)2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyXHYVDANPNOEOPC-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.79
Rot. Bonds4

About 2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole

2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole (PubChem CID 102097166) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole
PubChem CID102097166
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole
SMILESCc1nccn1CCCn1ccnc1C
InChIInChI=1S/C11H16N4/c1-10-12-4-8-14(10)6-3-7-15-9-5-13-11(15)2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyXHYVDANPNOEOPC-UHFFFAOYSA-N
XLogP1.79
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole?
The IUPAC name of 2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole (CID 102097166) is 2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole.
What is the SMILES notation for 2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole?
The canonical SMILES for 2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole is Cc1nccn1CCCn1ccnc1C.
What is the InChIKey of 2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole?
The InChIKey is XHYVDANPNOEOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-10-12-4-8-14(10)6-3-7-15-9-5-13-11(15)2/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole?
2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole has a molecular weight of 204.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-methylimidazol-1-yl)propyl]imidazole is sourced from PubChem (CID 102097166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).