2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole

C14H18N2 — CID 124562149

IUPAC2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole
SMILESCCc1cccc([C@H](C)c2ncc[nH]2)c1C
InChIInChI=1S/C14H18N2/c1-4-12-6-5-7-13(10(12)2)11(3)14-15-8-9-16-14/h5-9,11H,4H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyBJPPOKCOYZHBBO-NSHDSACASA-N
MW214.31 g/mol
LogP3.43
Rot. Bonds3

About 2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole

2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole (PubChem CID 124562149) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole
PubChem CID124562149
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole
SMILESCCc1cccc([C@H](C)c2ncc[nH]2)c1C
InChIInChI=1S/C14H18N2/c1-4-12-6-5-7-13(10(12)2)11(3)14-15-8-9-16-14/h5-9,11H,4H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyBJPPOKCOYZHBBO-NSHDSACASA-N
XLogP3.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole (CID 124562149) is 2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole is CCc1cccc([C@H](C)c2ncc[nH]2)c1C.
What is the InChIKey of 2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole?
The InChIKey is BJPPOKCOYZHBBO-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2/c1-4-12-6-5-7-13(10(12)2)11(3)14-15-8-9-16-14/h5-9,11H,4H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole?
2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole has a molecular weight of 214.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 124562149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).