5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole

C15H18N2 — CID 116811663

IUPAC5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole
SMILESCc1ccc(Cn2cncc2C2CC2)c(C)c1
InChIInChI=1S/C15H18N2/c1-11-3-4-14(12(2)7-11)9-17-10-16-8-15(17)13-5-6-13/h3-4,7-8,10,13H,5-6,9H2,1-2H3
InChIKeyYUWGBLKFSUIHEX-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.43
Rot. Bonds3

About 5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole

5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole (PubChem CID 116811663) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole.

Molecular Properties

Compound Name5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole
PubChem CID116811663
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole
SMILESCc1ccc(Cn2cncc2C2CC2)c(C)c1
InChIInChI=1S/C15H18N2/c1-11-3-4-14(12(2)7-11)9-17-10-16-8-15(17)13-5-6-13/h3-4,7-8,10,13H,5-6,9H2,1-2H3
InChIKeyYUWGBLKFSUIHEX-UHFFFAOYSA-N
XLogP3.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole?
The IUPAC name of 5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole (CID 116811663) is 5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole.
What is the SMILES notation for 5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole?
The canonical SMILES for 5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole is Cc1ccc(Cn2cncc2C2CC2)c(C)c1.
What is the InChIKey of 5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole?
The InChIKey is YUWGBLKFSUIHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-3-4-14(12(2)7-11)9-17-10-16-8-15(17)13-5-6-13/h3-4,7-8,10,13H,5-6,9H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole?
5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole has a molecular weight of 226.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole is sourced from PubChem (CID 116811663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).