1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole

C16H24N2 — CID 153493106

IUPAC1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole
SMILESCC(C)c1cccc(N2C=CN(C(C)(C)C)C2)c1
InChIInChI=1S/C16H24N2/c1-13(2)14-7-6-8-15(11-14)17-9-10-18(12-17)16(3,4)5/h6-11,13H,12H2,1-5H3
InChIKeyMCVHXQNLFYUTJW-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.16
Rot. Bonds2

About 1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole

1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole (PubChem CID 153493106) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole.

Molecular Properties

Compound Name1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole
PubChem CID153493106
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole
SMILESCC(C)c1cccc(N2C=CN(C(C)(C)C)C2)c1
InChIInChI=1S/C16H24N2/c1-13(2)14-7-6-8-15(11-14)17-9-10-18(12-17)16(3,4)5/h6-11,13H,12H2,1-5H3
InChIKeyMCVHXQNLFYUTJW-UHFFFAOYSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole?
The IUPAC name of 1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole (CID 153493106) is 1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole.
What is the SMILES notation for 1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole?
The canonical SMILES for 1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole is CC(C)c1cccc(N2C=CN(C(C)(C)C)C2)c1.
What is the InChIKey of 1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole?
The InChIKey is MCVHXQNLFYUTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(2)14-7-6-8-15(11-14)17-9-10-18(12-17)16(3,4)5/h6-11,13H,12H2,1-5H3.
What are the key properties of 1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole?
1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole has a molecular weight of 244.38 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-propan-2-ylphenyl)-2H-imidazole is sourced from PubChem (CID 153493106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).