2-methyl-1-[(1R)-1-phenylethyl]imidazole

C12H14N2 — CID 76960079

IUPAC2-methyl-1-[(1R)-1-phenylethyl]imidazole
SMILESCc1nccn1[C@H](C)c1ccccc1
InChIInChI=1S/C12H14N2/c1-10(12-6-4-3-5-7-12)14-9-8-13-11(14)2/h3-10H,1-2H3/t10-/m1/s1
InChIKeyCILDGVODBJAMGO-SNVBAGLBSA-N
MW186.26 g/mol
LogP2.80
Rot. Bonds2

About 2-methyl-1-[(1R)-1-phenylethyl]imidazole

2-methyl-1-[(1R)-1-phenylethyl]imidazole (PubChem CID 76960079) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-methyl-1-[(1R)-1-phenylethyl]imidazole.

Molecular Properties

Compound Name2-methyl-1-[(1R)-1-phenylethyl]imidazole
PubChem CID76960079
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-methyl-1-[(1R)-1-phenylethyl]imidazole
SMILESCc1nccn1[C@H](C)c1ccccc1
InChIInChI=1S/C12H14N2/c1-10(12-6-4-3-5-7-12)14-9-8-13-11(14)2/h3-10H,1-2H3/t10-/m1/s1
InChIKeyCILDGVODBJAMGO-SNVBAGLBSA-N
XLogP2.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1R)-1-phenylethyl]imidazole?
The IUPAC name of 2-methyl-1-[(1R)-1-phenylethyl]imidazole (CID 76960079) is 2-methyl-1-[(1R)-1-phenylethyl]imidazole.
What is the SMILES notation for 2-methyl-1-[(1R)-1-phenylethyl]imidazole?
The canonical SMILES for 2-methyl-1-[(1R)-1-phenylethyl]imidazole is Cc1nccn1[C@H](C)c1ccccc1.
What is the InChIKey of 2-methyl-1-[(1R)-1-phenylethyl]imidazole?
The InChIKey is CILDGVODBJAMGO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2/c1-10(12-6-4-3-5-7-12)14-9-8-13-11(14)2/h3-10H,1-2H3/t10-/m1/s1.
What are the key properties of 2-methyl-1-[(1R)-1-phenylethyl]imidazole?
2-methyl-1-[(1R)-1-phenylethyl]imidazole has a molecular weight of 186.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1R)-1-phenylethyl]imidazole is sourced from PubChem (CID 76960079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).