1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole

C11H14N2 — CID 135391268

IUPAC1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole
SMILESCc1ccc(CN2C=NCC2)cc1
InChIInChI=1S/C11H14N2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13/h2-5,9H,6-8H2,1H3
InChIKeyZJNSJMHUFCEINX-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.84
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole

1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole (PubChem CID 135391268) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole
PubChem CID135391268
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole
SMILESCc1ccc(CN2C=NCC2)cc1
InChIInChI=1S/C11H14N2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13/h2-5,9H,6-8H2,1H3
InChIKeyZJNSJMHUFCEINX-UHFFFAOYSA-N
XLogP1.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole (CID 135391268) is 1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole is Cc1ccc(CN2C=NCC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole?
The InChIKey is ZJNSJMHUFCEINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-10-2-4-11(5-3-10)8-13-7-6-12-9-13/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole?
1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole has a molecular weight of 174.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4,5-dihydroimidazole is sourced from PubChem (CID 135391268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).