2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole

C14H20N2 — CID 122184446

IUPAC2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1c(CC2=NCCN2)cccc1C(C)C
InChIInChI=1S/C14H20N2/c1-10(2)13-6-4-5-12(11(13)3)9-14-15-7-8-16-14/h4-6,10H,7-9H2,1-3H3,(H,15,16)
InChIKeyJLJIZCWIVJSNPI-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.66
Rot. Bonds3

About 2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 122184446) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID122184446
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1c(CC2=NCCN2)cccc1C(C)C
InChIInChI=1S/C14H20N2/c1-10(2)13-6-4-5-12(11(13)3)9-14-15-7-8-16-14/h4-6,10H,7-9H2,1-3H3,(H,15,16)
InChIKeyJLJIZCWIVJSNPI-UHFFFAOYSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 122184446) is 2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole is Cc1c(CC2=NCCN2)cccc1C(C)C.
What is the InChIKey of 2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is JLJIZCWIVJSNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)13-6-4-5-12(11(13)3)9-14-15-7-8-16-14/h4-6,10H,7-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 216.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 122184446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).