1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one

C21H13Cl3N2O2 — CID 91936514

IUPAC1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one
SMILESO=c1n(-c2cccc(Cl)c2)c(O)c(-c2ccc(Cl)cc2)n1-c1cccc(Cl)c1
InChIInChI=1S/C21H13Cl3N2O2/c22-14-9-7-13(8-10-14)19-20(27)26(18-6-2-4-16(24)12-18)21(28)25(19)17-5-1-3-15(23)11-17/h1-12,27H
InChIKeyLPNSIKSULVCPTB-UHFFFAOYSA-N
MW431.71 g/mol
LogP5.96
Rot. Bonds3

About 1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one

1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one (PubChem CID 91936514) has the molecular formula C21H13Cl3N2O2 and a molecular weight of 431.71 g/mol. Its IUPAC name is 1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one.

Molecular Properties

Compound Name1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one
PubChem CID91936514
Molecular FormulaC21H13Cl3N2O2
Molecular Weight431.71 g/mol
Exact Mass430.00
IUPAC Name1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one
SMILESO=c1n(-c2cccc(Cl)c2)c(O)c(-c2ccc(Cl)cc2)n1-c1cccc(Cl)c1
InChIInChI=1S/C21H13Cl3N2O2/c22-14-9-7-13(8-10-14)19-20(27)26(18-6-2-4-16(24)12-18)21(28)25(19)17-5-1-3-15(23)11-17/h1-12,27H
InChIKeyLPNSIKSULVCPTB-UHFFFAOYSA-N
XLogP5.96
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.71
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one?
The IUPAC name of 1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one (CID 91936514) is 1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one.
What is the SMILES notation for 1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one?
The canonical SMILES for 1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one is O=c1n(-c2cccc(Cl)c2)c(O)c(-c2ccc(Cl)cc2)n1-c1cccc(Cl)c1.
What is the InChIKey of 1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one?
The InChIKey is LPNSIKSULVCPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3N2O2/c22-14-9-7-13(8-10-14)19-20(27)26(18-6-2-4-16(24)12-18)21(28)25(19)17-5-1-3-15(23)11-17/h1-12,27H.
What are the key properties of 1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one?
1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one has a molecular weight of 431.71 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one is sourced from PubChem (CID 91936514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).