2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole

C18H26N4 — CID 66855428

IUPAC2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole
SMILESCCc1cccc(C(C)C)c1CC1=NCCN1.c1c[nH]cn1
InChIInChI=1S/C15H22N2.C3H4N2/c1-4-12-6-5-7-13(11(2)3)14(12)10-15-16-8-9-17-15;1-2-5-3-4-1/h5-7,11H,4,8-10H2,1-3H3,(H,16,17);1-3H,(H,4,5)
InChIKeyHPOFIIFVGIHHIL-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.33
Rot. Bonds4

About 2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole

2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole (PubChem CID 66855428) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole.

Molecular Properties

Compound Name2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole
PubChem CID66855428
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole
SMILESCCc1cccc(C(C)C)c1CC1=NCCN1.c1c[nH]cn1
InChIInChI=1S/C15H22N2.C3H4N2/c1-4-12-6-5-7-13(11(2)3)14(12)10-15-16-8-9-17-15;1-2-5-3-4-1/h5-7,11H,4,8-10H2,1-3H3,(H,16,17);1-3H,(H,4,5)
InChIKeyHPOFIIFVGIHHIL-UHFFFAOYSA-N
XLogP3.33
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole?
The IUPAC name of 2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole (CID 66855428) is 2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole.
What is the SMILES notation for 2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole?
The canonical SMILES for 2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole is CCc1cccc(C(C)C)c1CC1=NCCN1.c1c[nH]cn1.
What is the InChIKey of 2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole?
The InChIKey is HPOFIIFVGIHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.C3H4N2/c1-4-12-6-5-7-13(11(2)3)14(12)10-15-16-8-9-17-15;1-2-5-3-4-1/h5-7,11H,4,8-10H2,1-3H3,(H,16,17);1-3H,(H,4,5).
What are the key properties of 2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole?
2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole has a molecular weight of 298.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-propan-2-ylphenyl)methyl]-4,5-dihydro-1H-imidazole;1H-imidazole is sourced from PubChem (CID 66855428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).