1-benzyl-2,3-dimethyl-2H-imidazole

C12H16N2 — CID 20534969

IUPAC1-benzyl-2,3-dimethyl-2H-imidazole
SMILESCC1N(C)C=CN1Cc1ccccc1
InChIInChI=1S/C12H16N2/c1-11-13(2)8-9-14(11)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyGHJFCDMKENGLAX-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.25
Rot. Bonds2

About 1-benzyl-2,3-dimethyl-2H-imidazole

1-benzyl-2,3-dimethyl-2H-imidazole (PubChem CID 20534969) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-benzyl-2,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name1-benzyl-2,3-dimethyl-2H-imidazole
PubChem CID20534969
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-benzyl-2,3-dimethyl-2H-imidazole
SMILESCC1N(C)C=CN1Cc1ccccc1
InChIInChI=1S/C12H16N2/c1-11-13(2)8-9-14(11)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyGHJFCDMKENGLAX-UHFFFAOYSA-N
XLogP2.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dimethyl-2H-imidazole?
The IUPAC name of 1-benzyl-2,3-dimethyl-2H-imidazole (CID 20534969) is 1-benzyl-2,3-dimethyl-2H-imidazole.
What is the SMILES notation for 1-benzyl-2,3-dimethyl-2H-imidazole?
The canonical SMILES for 1-benzyl-2,3-dimethyl-2H-imidazole is CC1N(C)C=CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,3-dimethyl-2H-imidazole?
The InChIKey is GHJFCDMKENGLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-11-13(2)8-9-14(11)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-benzyl-2,3-dimethyl-2H-imidazole?
1-benzyl-2,3-dimethyl-2H-imidazole has a molecular weight of 188.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dimethyl-2H-imidazole is sourced from PubChem (CID 20534969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).