1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol

C19H19ClN2O — CID 18668528

IUPAC1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)(c1cccc(-c2ccc(Cl)cc2)c1)c1cnc[nH]1
InChIInChI=1S/C19H19ClN2O/c1-13(2)19(23,18-11-21-12-22-18)16-5-3-4-15(10-16)14-6-8-17(20)9-7-14/h3-13,23H,1-2H3,(H,21,22)
InChIKeyNKGXIBYLFKGGQB-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.62
Rot. Bonds4

About 1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol

1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol (PubChem CID 18668528) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol
PubChem CID18668528
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)(c1cccc(-c2ccc(Cl)cc2)c1)c1cnc[nH]1
InChIInChI=1S/C19H19ClN2O/c1-13(2)19(23,18-11-21-12-22-18)16-5-3-4-15(10-16)14-6-8-17(20)9-7-14/h3-13,23H,1-2H3,(H,21,22)
InChIKeyNKGXIBYLFKGGQB-UHFFFAOYSA-N
XLogP4.62
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol (CID 18668528) is 1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol is CC(C)C(O)(c1cccc(-c2ccc(Cl)cc2)c1)c1cnc[nH]1.
What is the InChIKey of 1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol?
The InChIKey is NKGXIBYLFKGGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-13(2)19(23,18-11-21-12-22-18)16-5-3-4-15(10-16)14-6-8-17(20)9-7-14/h3-13,23H,1-2H3,(H,21,22).
What are the key properties of 1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol?
1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol has a molecular weight of 326.83 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 18668528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).