5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole

C13H16N2 — CID 5311068

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IUPAC5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
SMILESCc1cccc([C@H](C)c2cnc[nH]2)c1C
InChIInChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyCUHVIMMYOGQXCV-NSHDSACASA-N
MW200.28 g/mol
LogP3.18
Rot. Bonds2

About 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole

5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole (PubChem CID 5311068) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
PubChem CID5311068
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
SMILESCc1cccc([C@H](C)c2cnc[nH]2)c1C
InChIInChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyCUHVIMMYOGQXCV-NSHDSACASA-N
XLogP3.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Medetomidine
CID 68602
Atipamezole
CID 71310
Dexmedetomidine Hydrochloride
CID 6918081
Detomidine Hydrochloride
CID 56031
Medetomidine Hydrochloride
CID 68601
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
Fipamezole
CID 213041
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
Atipamezole Hydrochloride
CID 13649426
4-benzyl-1H-imidazole
CID 594090
4-(4-fluorophenyl)-1H-imidazole
CID 657876

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole?
The IUPAC name of 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole (CID 5311068) is 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole?
The canonical SMILES for 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole is Cc1cccc([C@H](C)c2cnc[nH]2)c1C.
What is the InChIKey of 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole?
The InChIKey is CUHVIMMYOGQXCV-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole?
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole has a molecular weight of 200.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 5311068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).