(4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone

C14H16N2O — CID 2818529

IUPAC(4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ncc[nH]2)cc1
InChIInChI=1S/C14H16N2O/c1-14(2,3)11-6-4-10(5-7-11)12(17)13-15-8-9-16-13/h4-9H,1-3H3,(H,15,16)
InChIKeyMUDXAFPEKCLKLK-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.94
Rot. Bonds2

About (4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone

(4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone (PubChem CID 2818529) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone
PubChem CID2818529
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ncc[nH]2)cc1
InChIInChI=1S/C14H16N2O/c1-14(2,3)11-6-4-10(5-7-11)12(17)13-15-8-9-16-13/h4-9H,1-3H3,(H,15,16)
InChIKeyMUDXAFPEKCLKLK-UHFFFAOYSA-N
XLogP2.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone (CID 2818529) is (4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone is CC(C)(C)c1ccc(C(=O)c2ncc[nH]2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone?
The InChIKey is MUDXAFPEKCLKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-14(2,3)11-6-4-10(5-7-11)12(17)13-15-8-9-16-13/h4-9H,1-3H3,(H,15,16).
What are the key properties of (4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone?
(4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone has a molecular weight of 228.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 2818529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).