1,2,3-trimethyl-2H-imidazole

C6H12N2 — CID 18006468

IUPAC1,2,3-trimethyl-2H-imidazole
SMILESCC1N(C)C=CN1C
InChIInChI=1S/C6H12N2/c1-6-7(2)4-5-8(6)3/h4-6H,1-3H3
InChIKeyVIKMHHCQBWIVLV-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.68
Rot. Bonds

About 1,2,3-trimethyl-2H-imidazole

1,2,3-trimethyl-2H-imidazole (PubChem CID 18006468) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1,2,3-trimethyl-2H-imidazole.

Molecular Properties

Compound Name1,2,3-trimethyl-2H-imidazole
PubChem CID18006468
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1,2,3-trimethyl-2H-imidazole
SMILESCC1N(C)C=CN1C
InChIInChI=1S/C6H12N2/c1-6-7(2)4-5-8(6)3/h4-6H,1-3H3
InChIKeyVIKMHHCQBWIVLV-UHFFFAOYSA-N
XLogP0.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-2H-imidazole?
The IUPAC name of 1,2,3-trimethyl-2H-imidazole (CID 18006468) is 1,2,3-trimethyl-2H-imidazole.
What is the SMILES notation for 1,2,3-trimethyl-2H-imidazole?
The canonical SMILES for 1,2,3-trimethyl-2H-imidazole is CC1N(C)C=CN1C.
What is the InChIKey of 1,2,3-trimethyl-2H-imidazole?
The InChIKey is VIKMHHCQBWIVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6-7(2)4-5-8(6)3/h4-6H,1-3H3.
What are the key properties of 1,2,3-trimethyl-2H-imidazole?
1,2,3-trimethyl-2H-imidazole has a molecular weight of 112.18 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-2H-imidazole is sourced from PubChem (CID 18006468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).