[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine

C16H21N3O — CID 102970575

IUPAC[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine
SMILESCc1cc(C)cc(-c2cnc(C(N)C3CCOC3)[nH]2)c1
InChIInChI=1S/C16H21N3O/c1-10-5-11(2)7-13(6-10)14-8-18-16(19-14)15(17)12-3-4-20-9-12/h5-8,12,15H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyQMDRHUYSDSXCIY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.73
Rot. Bonds3

About [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine

[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine (PubChem CID 102970575) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine
PubChem CID102970575
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine
SMILESCc1cc(C)cc(-c2cnc(C(N)C3CCOC3)[nH]2)c1
InChIInChI=1S/C16H21N3O/c1-10-5-11(2)7-13(6-10)14-8-18-16(19-14)15(17)12-3-4-20-9-12/h5-8,12,15H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyQMDRHUYSDSXCIY-UHFFFAOYSA-N
XLogP2.73
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine (CID 102970575) is [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine is Cc1cc(C)cc(-c2cnc(C(N)C3CCOC3)[nH]2)c1.
What is the InChIKey of [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine?
The InChIKey is QMDRHUYSDSXCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-5-11(2)7-13(6-10)14-8-18-16(19-14)15(17)12-3-4-20-9-12/h5-8,12,15H,3-4,9,17H2,1-2H3,(H,18,19).
What are the key properties of [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine?
[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 102970575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).