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

C19H19ClN2O — CID 12043374

IUPAC1-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)(c1ccc(-c2ccc(Cl)cc2)cc1)c1cnc[nH]1
InChIInChI=1S/C19H19ClN2O/c1-13(2)19(23,18-11-21-12-22-18)16-7-3-14(4-8-16)15-5-9-17(20)10-6-15/h3-13,23H,1-2H3,(H,21,22)
InChIKeySVOSCUAPCVQCPN-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.62
Rot. Bonds4

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

1-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol (PubChem CID 12043374) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol
PubChem CID12043374
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name1-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)(c1ccc(-c2ccc(Cl)cc2)cc1)c1cnc[nH]1
InChIInChI=1S/C19H19ClN2O/c1-13(2)19(23,18-11-21-12-22-18)16-7-3-14(4-8-16)15-5-9-17(20)10-6-15/h3-13,23H,1-2H3,(H,21,22)
InChIKeySVOSCUAPCVQCPN-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-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol (CID 12043374) is 1-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol is CC(C)C(O)(c1ccc(-c2ccc(Cl)cc2)cc1)c1cnc[nH]1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol?
The InChIKey is SVOSCUAPCVQCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-13(2)19(23,18-11-21-12-22-18)16-7-3-14(4-8-16)15-5-9-17(20)10-6-15/h3-13,23H,1-2H3,(H,21,22).
What are the key properties of 1-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol?
1-[4-(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-[4-(4-chlorophenyl)phenyl]-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 12043374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).