1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole

C12H14N6 — CID 140993057

IUPAC1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole
SMILESCn1cnc(-c2nc(-c3nccn3C)cn2C)c1
InChIInChI=1S/C12H14N6/c1-16-6-9(14-8-16)12-15-10(7-18(12)3)11-13-4-5-17(11)2/h4-8H,1-3H3
InChIKeyCILVLVRTJALREC-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.22
Rot. Bonds2

About 1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole

1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole (PubChem CID 140993057) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole.

Molecular Properties

Compound Name1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole
PubChem CID140993057
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole
SMILESCn1cnc(-c2nc(-c3nccn3C)cn2C)c1
InChIInChI=1S/C12H14N6/c1-16-6-9(14-8-16)12-15-10(7-18(12)3)11-13-4-5-17(11)2/h4-8H,1-3H3
InChIKeyCILVLVRTJALREC-UHFFFAOYSA-N
XLogP1.22
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole?
The IUPAC name of 1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole (CID 140993057) is 1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole.
What is the SMILES notation for 1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole?
The canonical SMILES for 1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole is Cn1cnc(-c2nc(-c3nccn3C)cn2C)c1.
What is the InChIKey of 1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole?
The InChIKey is CILVLVRTJALREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-16-6-9(14-8-16)12-15-10(7-18(12)3)11-13-4-5-17(11)2/h4-8H,1-3H3.
What are the key properties of 1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole?
1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole has a molecular weight of 242.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylimidazol-2-yl)-2-(1-methylimidazol-4-yl)imidazole is sourced from PubChem (CID 140993057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).