4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole

C13H18N2 — CID 86341607

IUPAC4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole
SMILESCc1cccc([C@@H](C)C2=CNCN2)c1C
InChIInChI=1S/C13H18N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-7,11,14-15H,8H2,1-3H3/t11-/m1/s1
InChIKeyDFDNPLNJUYHWKA-LLVKDONJSA-N
MW202.30 g/mol
LogP2.40
Rot. Bonds2

About 4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole

4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole (PubChem CID 86341607) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole
PubChem CID86341607
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole
SMILESCc1cccc([C@@H](C)C2=CNCN2)c1C
InChIInChI=1S/C13H18N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-7,11,14-15H,8H2,1-3H3/t11-/m1/s1
InChIKeyDFDNPLNJUYHWKA-LLVKDONJSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole (CID 86341607) is 4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole is Cc1cccc([C@@H](C)C2=CNCN2)c1C.
What is the InChIKey of 4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole?
The InChIKey is DFDNPLNJUYHWKA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-7,11,14-15H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole?
4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole has a molecular weight of 202.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(2,3-dimethylphenyl)ethyl]-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 86341607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).