4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol

C21H13Cl2FN2O — CID 141291622

IUPAC4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cnc(-c2ccccc2)n1-c1cccc(Cl)c1F
InChIInChI=1S/C21H13Cl2FN2O/c22-14-9-10-19(27)15(11-14)18-12-25-21(13-5-2-1-3-6-13)26(18)17-8-4-7-16(23)20(17)24/h1-12,27H
InChIKeyPDAPWIVKWXZQDV-UHFFFAOYSA-N
MW399.25 g/mol
LogP6.36
Rot. Bonds3

About 4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol

4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol (PubChem CID 141291622) has the molecular formula C21H13Cl2FN2O and a molecular weight of 399.25 g/mol. Its IUPAC name is 4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol
PubChem CID141291622
Molecular FormulaC21H13Cl2FN2O
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol
SMILESOc1ccc(Cl)cc1-c1cnc(-c2ccccc2)n1-c1cccc(Cl)c1F
InChIInChI=1S/C21H13Cl2FN2O/c22-14-9-10-19(27)15(11-14)18-12-25-21(13-5-2-1-3-6-13)26(18)17-8-4-7-16(23)20(17)24/h1-12,27H
InChIKeyPDAPWIVKWXZQDV-UHFFFAOYSA-N
XLogP6.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.25
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol?
The IUPAC name of 4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol (CID 141291622) is 4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol.
What is the SMILES notation for 4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol?
The canonical SMILES for 4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol is Oc1ccc(Cl)cc1-c1cnc(-c2ccccc2)n1-c1cccc(Cl)c1F.
What is the InChIKey of 4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol?
The InChIKey is PDAPWIVKWXZQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2FN2O/c22-14-9-10-19(27)15(11-14)18-12-25-21(13-5-2-1-3-6-13)26(18)17-8-4-7-16(23)20(17)24/h1-12,27H.
What are the key properties of 4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol?
4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol has a molecular weight of 399.25 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]phenol is sourced from PubChem (CID 141291622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).