1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole

C10H18N4 — CID 12048404

IUPAC1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole
SMILESCN1C=CN(CCN2C=CN(C)C2)C1
InChIInChI=1S/C10H18N4/c1-11-3-5-13(9-11)7-8-14-6-4-12(2)10-14/h3-6H,7-10H2,1-2H3
InChIKeyMLJHHOYWAGMJAS-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.34
Rot. Bonds3

About 1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole

1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole (PubChem CID 12048404) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole
PubChem CID12048404
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole
SMILESCN1C=CN(CCN2C=CN(C)C2)C1
InChIInChI=1S/C10H18N4/c1-11-3-5-13(9-11)7-8-14-6-4-12(2)10-14/h3-6H,7-10H2,1-2H3
InChIKeyMLJHHOYWAGMJAS-UHFFFAOYSA-N
XLogP0.34
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole?
The IUPAC name of 1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole (CID 12048404) is 1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole.
What is the SMILES notation for 1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole?
The canonical SMILES for 1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole is CN1C=CN(CCN2C=CN(C)C2)C1.
What is the InChIKey of 1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole?
The InChIKey is MLJHHOYWAGMJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-11-3-5-13(9-11)7-8-14-6-4-12(2)10-14/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole?
1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole has a molecular weight of 194.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2H-imidazole is sourced from PubChem (CID 12048404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).