2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol

C16H22N2O — CID 116881349

IUPAC2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol
SMILESCC(C)(C)c1ccc(-c2cnc(C(C)(C)O)[nH]2)cc1
InChIInChI=1S/C16H22N2O/c1-15(2,3)12-8-6-11(7-9-12)13-10-17-14(18-13)16(4,5)19/h6-10,19H,1-5H3,(H,17,18)
InChIKeyUWNDPWDKTTUJIK-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.60
Rot. Bonds2

About 2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol

2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol (PubChem CID 116881349) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol
PubChem CID116881349
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol
SMILESCC(C)(C)c1ccc(-c2cnc(C(C)(C)O)[nH]2)cc1
InChIInChI=1S/C16H22N2O/c1-15(2,3)12-8-6-11(7-9-12)13-10-17-14(18-13)16(4,5)19/h6-10,19H,1-5H3,(H,17,18)
InChIKeyUWNDPWDKTTUJIK-UHFFFAOYSA-N
XLogP3.60
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol (CID 116881349) is 2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol is CC(C)(C)c1ccc(-c2cnc(C(C)(C)O)[nH]2)cc1.
What is the InChIKey of 2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol?
The InChIKey is UWNDPWDKTTUJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-15(2,3)12-8-6-11(7-9-12)13-10-17-14(18-13)16(4,5)19/h6-10,19H,1-5H3,(H,17,18).
What are the key properties of 2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol?
2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol has a molecular weight of 258.37 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]propan-2-ol is sourced from PubChem (CID 116881349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).