[4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone

C29H29Cl2FN4O2 — CID 22721120

IUPAC[4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
SMILESCC(C)Oc1cc(F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCNCC1
InChIInChI=1S/C29H29Cl2FN4O2/c1-18(2)38-25-17-23(32)11-12-24(25)28-34-26(19-3-7-21(30)8-4-19)27(20-5-9-22(31)10-6-20)36(28)29(37)35-15-13-33-14-16-35/h3-12,17-18,26-27,33H,13-16H2,1-2H3
InChIKeyZJRRRQKHVFCBCR-UHFFFAOYSA-N
MW555.48 g/mol
LogP6.49
Rot. Bonds5

About [4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone

[4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone (PubChem CID 22721120) has the molecular formula C29H29Cl2FN4O2 and a molecular weight of 555.48 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
PubChem CID22721120
Molecular FormulaC29H29Cl2FN4O2
Molecular Weight555.48 g/mol
Exact Mass554.17
IUPAC Name[4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone
SMILESCC(C)Oc1cc(F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCNCC1
InChIInChI=1S/C29H29Cl2FN4O2/c1-18(2)38-25-17-23(32)11-12-24(25)28-34-26(19-3-7-21(30)8-4-19)27(20-5-9-22(31)10-6-20)36(28)29(37)35-15-13-33-14-16-35/h3-12,17-18,26-27,33H,13-16H2,1-2H3
InChIKeyZJRRRQKHVFCBCR-UHFFFAOYSA-N
XLogP6.49
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.48
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone (CID 22721120) is [4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone is CC(C)Oc1cc(F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCNCC1.
What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone?
The InChIKey is ZJRRRQKHVFCBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl2FN4O2/c1-18(2)38-25-17-23(32)11-12-24(25)28-34-26(19-3-7-21(30)8-4-19)27(20-5-9-22(31)10-6-20)36(28)29(37)35-15-13-33-14-16-35/h3-12,17-18,26-27,33H,13-16H2,1-2H3.
What are the key properties of [4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone?
[4,5-bis(4-chlorophenyl)-2-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone has a molecular weight of 555.48 g/mol, XLogP of 6.49, 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-(4-fluoro-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 22721120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).