1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one

C16H20N2O — CID 116880813

IUPAC1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(-c2cc(C(C)C)ccc2C)[nH]1
InChIInChI=1S/C16H20N2O/c1-10(2)13-6-5-11(3)14(8-13)15-9-17-16(18-15)7-12(4)19/h5-6,8-10H,7H2,1-4H3,(H,17,18)
InChIKeyCVAYMNNKMUQGJZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.64
Rot. Bonds4

About 1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one

1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one (PubChem CID 116880813) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one
PubChem CID116880813
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(-c2cc(C(C)C)ccc2C)[nH]1
InChIInChI=1S/C16H20N2O/c1-10(2)13-6-5-11(3)14(8-13)15-9-17-16(18-15)7-12(4)19/h5-6,8-10H,7H2,1-4H3,(H,17,18)
InChIKeyCVAYMNNKMUQGJZ-UHFFFAOYSA-N
XLogP3.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one?
The IUPAC name of 1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one (CID 116880813) is 1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one?
The canonical SMILES for 1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one is CC(=O)Cc1ncc(-c2cc(C(C)C)ccc2C)[nH]1.
What is the InChIKey of 1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one?
The InChIKey is CVAYMNNKMUQGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10(2)13-6-5-11(3)14(8-13)15-9-17-16(18-15)7-12(4)19/h5-6,8-10H,7H2,1-4H3,(H,17,18).
What are the key properties of 1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one?
1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one has a molecular weight of 256.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one is sourced from PubChem (CID 116880813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).