1-(1-phenylethyl)-4-propan-2-ylimidazole

C14H18N2 — CID 134380000

IUPAC1-(1-phenylethyl)-4-propan-2-ylimidazole
SMILESCC(C)c1cn(C(C)c2ccccc2)cn1
InChIInChI=1S/C14H18N2/c1-11(2)14-9-16(10-15-14)12(3)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyGFRSNQKNZSLSPW-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.62
Rot. Bonds3

About 1-(1-phenylethyl)-4-propan-2-ylimidazole

1-(1-phenylethyl)-4-propan-2-ylimidazole (PubChem CID 134380000) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(1-phenylethyl)-4-propan-2-ylimidazole.

Molecular Properties

Compound Name1-(1-phenylethyl)-4-propan-2-ylimidazole
PubChem CID134380000
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(1-phenylethyl)-4-propan-2-ylimidazole
SMILESCC(C)c1cn(C(C)c2ccccc2)cn1
InChIInChI=1S/C14H18N2/c1-11(2)14-9-16(10-15-14)12(3)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyGFRSNQKNZSLSPW-UHFFFAOYSA-N
XLogP3.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-4-propan-2-ylimidazole?
The IUPAC name of 1-(1-phenylethyl)-4-propan-2-ylimidazole (CID 134380000) is 1-(1-phenylethyl)-4-propan-2-ylimidazole.
What is the SMILES notation for 1-(1-phenylethyl)-4-propan-2-ylimidazole?
The canonical SMILES for 1-(1-phenylethyl)-4-propan-2-ylimidazole is CC(C)c1cn(C(C)c2ccccc2)cn1.
What is the InChIKey of 1-(1-phenylethyl)-4-propan-2-ylimidazole?
The InChIKey is GFRSNQKNZSLSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(2)14-9-16(10-15-14)12(3)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 1-(1-phenylethyl)-4-propan-2-ylimidazole?
1-(1-phenylethyl)-4-propan-2-ylimidazole has a molecular weight of 214.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-4-propan-2-ylimidazole is sourced from PubChem (CID 134380000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).