2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol

C27H26Cl2N2O2 — CID 59251333

IUPAC2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C27H26Cl2N2O2/c1-26(2,32)19-12-8-17(9-13-19)18-10-14-20(15-11-18)31-16-23(27(3,4)33)30-25(31)21-6-5-7-22(28)24(21)29/h5-16,32-33H,1-4H3
InChIKeyRXPLRVMQUDOKRO-UHFFFAOYSA-N
MW481.42 g/mol
LogP6.97
Rot. Bonds5

About 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol

2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol (PubChem CID 59251333) has the molecular formula C27H26Cl2N2O2 and a molecular weight of 481.42 g/mol. Its IUPAC name is 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol
PubChem CID59251333
Molecular FormulaC27H26Cl2N2O2
Molecular Weight481.42 g/mol
Exact Mass480.14
IUPAC Name2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C27H26Cl2N2O2/c1-26(2,32)19-12-8-17(9-13-19)18-10-14-20(15-11-18)31-16-23(27(3,4)33)30-25(31)21-6-5-7-22(28)24(21)29/h5-16,32-33H,1-4H3
InChIKeyRXPLRVMQUDOKRO-UHFFFAOYSA-N
XLogP6.97
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol (CID 59251333) is 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol is CC(C)(O)c1ccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3cccc(Cl)c3Cl)cc2)cc1.
What is the InChIKey of 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol?
The InChIKey is RXPLRVMQUDOKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N2O2/c1-26(2,32)19-12-8-17(9-13-19)18-10-14-20(15-11-18)31-16-23(27(3,4)33)30-25(31)21-6-5-7-22(28)24(21)29/h5-16,32-33H,1-4H3.
What are the key properties of 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol?
2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol has a molecular weight of 481.42 g/mol, XLogP of 6.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 59251333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).