2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole

C14H16N2 — CID 124562179

IUPAC2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole
SMILESC[C@H](c1cccc(C2CC2)c1)c1ncc[nH]1
InChIInChI=1S/C14H16N2/c1-10(14-15-7-8-16-14)12-3-2-4-13(9-12)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyDZEVVAMVBRHUSB-SNVBAGLBSA-N
MW212.30 g/mol
LogP3.44
Rot. Bonds3

About 2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole

2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole (PubChem CID 124562179) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole
PubChem CID124562179
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole
SMILESC[C@H](c1cccc(C2CC2)c1)c1ncc[nH]1
InChIInChI=1S/C14H16N2/c1-10(14-15-7-8-16-14)12-3-2-4-13(9-12)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyDZEVVAMVBRHUSB-SNVBAGLBSA-N
XLogP3.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole (CID 124562179) is 2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole is C[C@H](c1cccc(C2CC2)c1)c1ncc[nH]1.
What is the InChIKey of 2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole?
The InChIKey is DZEVVAMVBRHUSB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N2/c1-10(14-15-7-8-16-14)12-3-2-4-13(9-12)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole?
2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole has a molecular weight of 212.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-cyclopropylphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 124562179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).