2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole

C14H20N2 — CID 10130620

IUPAC2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCC(C)(C)c1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C14H20N2/c1-14(2,3)12-6-4-11(5-7-12)10-13-15-8-9-16-13/h4-7H,8-10H2,1-3H3,(H,15,16)
InChIKeyMKJFTLHXEJLBOC-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.53
Rot. Bonds2

About 2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 10130620) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID10130620
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCC(C)(C)c1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C14H20N2/c1-14(2,3)12-6-4-11(5-7-12)10-13-15-8-9-16-13/h4-7H,8-10H2,1-3H3,(H,15,16)
InChIKeyMKJFTLHXEJLBOC-UHFFFAOYSA-N
XLogP2.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 10130620) is 2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole is CC(C)(C)c1ccc(CC2=NCCN2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is MKJFTLHXEJLBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-14(2,3)12-6-4-11(5-7-12)10-13-15-8-9-16-13/h4-7H,8-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 216.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10130620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).