2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol

C15H19ClN2O — CID 70463599

IUPAC2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)(Cc1ncc[nH]1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O/c1-14(2,3)15(19,10-13-17-8-9-18-13)11-6-4-5-7-12(11)16/h4-9,19H,10H2,1-3H3,(H,17,18)
InChIKeyJQXVSPJPBDIEHS-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.54
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol

2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol (PubChem CID 70463599) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol
PubChem CID70463599
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)(Cc1ncc[nH]1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O/c1-14(2,3)15(19,10-13-17-8-9-18-13)11-6-4-5-7-12(11)16/h4-9,19H,10H2,1-3H3,(H,17,18)
InChIKeyJQXVSPJPBDIEHS-UHFFFAOYSA-N
XLogP3.54
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
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3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
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1-(2-chlorophenyl)-2-(1H-imidazol-2-yl)ethanol
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2-(2-chlorophenyl)propan-2-ol
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2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
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2-(2,4-dichlorophenyl)-2-(1H-imidazol-2-ylmethyl)pent-4-ynenitrile
CID 88812905
2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole
CID 117187213
2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
CID 133472200
2-[(2-chlorophenyl)-diphenylmethyl]-1H-imidazole
CID 14122589
2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130
1,1-bis(2-chlorophenyl)ethane-1,2-diol
CID 71341574
[2-(2,4-dichlorophenyl)-1-(1H-imidazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)propan-2-yl]oxy-trimethylsilane
CID 67743815

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol (CID 70463599) is 2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)(Cc1ncc[nH]1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is JQXVSPJPBDIEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-14(2,3)15(19,10-13-17-8-9-18-13)11-6-4-5-7-12(11)16/h4-9,19H,10H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol?
2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 278.78 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(1H-imidazol-2-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 70463599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).