1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine

C16H21N3 — CID 60865963

IUPAC1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCc1ccc(-c2cnc(C(C)(N)C3CC3)[nH]2)c(C)c1
InChIInChI=1S/C16H21N3/c1-10-4-7-13(11(2)8-10)14-9-18-15(19-14)16(3,17)12-5-6-12/h4,7-9,12H,5-6,17H2,1-3H3,(H,18,19)
InChIKeyIWTRURHHCOPLCU-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.28
Rot. Bonds3

About 1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine

1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 60865963) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
PubChem CID60865963
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCc1ccc(-c2cnc(C(C)(N)C3CC3)[nH]2)c(C)c1
InChIInChI=1S/C16H21N3/c1-10-4-7-13(11(2)8-10)14-9-18-15(19-14)16(3,17)12-5-6-12/h4,7-9,12H,5-6,17H2,1-3H3,(H,18,19)
InChIKeyIWTRURHHCOPLCU-UHFFFAOYSA-N
XLogP3.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine (CID 60865963) is 1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine is Cc1ccc(-c2cnc(C(C)(N)C3CC3)[nH]2)c(C)c1.
What is the InChIKey of 1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is IWTRURHHCOPLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-10-4-7-13(11(2)8-10)14-9-18-15(19-14)16(3,17)12-5-6-12/h4,7-9,12H,5-6,17H2,1-3H3,(H,18,19).
What are the key properties of 1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine?
1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 60865963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).