[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone

C28H27Cl2FN4O2 — CID 22720997

IUPAC[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
SMILESCCOc1cc(F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCNCC1
InChIInChI=1S/C28H27Cl2FN4O2/c1-2-37-24-17-22(31)11-12-23(24)27-33-25(18-3-7-20(29)8-4-18)26(19-5-9-21(30)10-6-19)35(27)28(36)34-15-13-32-14-16-34/h3-12,17,25-26,32H,2,13-16H2,1H3
InChIKeyFEILBBDFWOZFIW-UHFFFAOYSA-N
MW541.45 g/mol
LogP6.10
Rot. Bonds5

About [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone

[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone (PubChem CID 22720997) has the molecular formula C28H27Cl2FN4O2 and a molecular weight of 541.45 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
PubChem CID22720997
Molecular FormulaC28H27Cl2FN4O2
Molecular Weight541.45 g/mol
Exact Mass540.15
IUPAC Name[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
SMILESCCOc1cc(F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCNCC1
InChIInChI=1S/C28H27Cl2FN4O2/c1-2-37-24-17-22(31)11-12-23(24)27-33-25(18-3-7-20(29)8-4-18)26(19-5-9-21(30)10-6-19)35(27)28(36)34-15-13-32-14-16-34/h3-12,17,25-26,32H,2,13-16H2,1H3
InChIKeyFEILBBDFWOZFIW-UHFFFAOYSA-N
XLogP6.10
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.45
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone (CID 22720997) is [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone is CCOc1cc(F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCNCC1.
What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone?
The InChIKey is FEILBBDFWOZFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2FN4O2/c1-2-37-24-17-22(31)11-12-23(24)27-33-25(18-3-7-20(29)8-4-18)26(19-5-9-21(30)10-6-19)35(27)28(36)34-15-13-32-14-16-34/h3-12,17,25-26,32H,2,13-16H2,1H3.
What are the key properties of [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone?
[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone has a molecular weight of 541.45 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-fluorophenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 22720997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).