(2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole

C13H18N2 — CID 166737224

IUPAC(2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole
SMILESCC1=CN(c2ccccc2C)[C@@H](C)N1C
InChIInChI=1S/C13H18N2/c1-10-7-5-6-8-13(10)15-9-11(2)14(4)12(15)3/h5-9,12H,1-4H3/t12-/m0/s1
InChIKeyBCSRHVRHFUTHKS-LBPRGKRZSA-N
MW202.30 g/mol
LogP2.95
Rot. Bonds1

About (2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole

(2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole (PubChem CID 166737224) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole.

Molecular Properties

Compound Name(2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole
PubChem CID166737224
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole
SMILESCC1=CN(c2ccccc2C)[C@@H](C)N1C
InChIInChI=1S/C13H18N2/c1-10-7-5-6-8-13(10)15-9-11(2)14(4)12(15)3/h5-9,12H,1-4H3/t12-/m0/s1
InChIKeyBCSRHVRHFUTHKS-LBPRGKRZSA-N
XLogP2.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole?
The IUPAC name of (2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole (CID 166737224) is (2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole.
What is the SMILES notation for (2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole?
The canonical SMILES for (2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole is CC1=CN(c2ccccc2C)[C@@H](C)N1C.
What is the InChIKey of (2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole?
The InChIKey is BCSRHVRHFUTHKS-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-7-5-6-8-13(10)15-9-11(2)14(4)12(15)3/h5-9,12H,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole?
(2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole has a molecular weight of 202.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,4-trimethyl-1-(2-methylphenyl)-2H-imidazole is sourced from PubChem (CID 166737224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).