1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone

C32H35Cl2N3O3 — CID 56680376

IUPAC1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone
SMILESCOc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)CN2CCCCC2)c(OC(C)C)c1
InChIInChI=1S/C32H35Cl2N3O3/c1-21(2)40-28-19-26(39-3)15-16-27(28)32-35-30(22-7-11-24(33)12-8-22)31(23-9-13-25(34)14-10-23)37(32)29(38)20-36-17-5-4-6-18-36/h7-16,19,21,30-31H,4-6,17-18,20H2,1-3H3
InChIKeyGYKYDSMPLXRLJJ-UHFFFAOYSA-N
MW580.56 g/mol
LogP7.35
Rot. Bonds8

About 1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone

1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone (PubChem CID 56680376) has the molecular formula C32H35Cl2N3O3 and a molecular weight of 580.56 g/mol. Its IUPAC name is 1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone
PubChem CID56680376
Molecular FormulaC32H35Cl2N3O3
Molecular Weight580.56 g/mol
Exact Mass579.21
IUPAC Name1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone
SMILESCOc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)CN2CCCCC2)c(OC(C)C)c1
InChIInChI=1S/C32H35Cl2N3O3/c1-21(2)40-28-19-26(39-3)15-16-27(28)32-35-30(22-7-11-24(33)12-8-22)31(23-9-13-25(34)14-10-23)37(32)29(38)20-36-17-5-4-6-18-36/h7-16,19,21,30-31H,4-6,17-18,20H2,1-3H3
InChIKeyGYKYDSMPLXRLJJ-UHFFFAOYSA-N
XLogP7.35
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.56
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone 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 1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone (CID 56680376) is 1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone is COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)CN2CCCCC2)c(OC(C)C)c1.
What is the InChIKey of 1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone?
The InChIKey is GYKYDSMPLXRLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35Cl2N3O3/c1-21(2)40-28-19-26(39-3)15-16-27(28)32-35-30(22-7-11-24(33)12-8-22)31(23-9-13-25(34)14-10-23)37(32)29(38)20-36-17-5-4-6-18-36/h7-16,19,21,30-31H,4-6,17-18,20H2,1-3H3.
What are the key properties of 1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone?
1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 580.56 g/mol, XLogP of 7.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 56680376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).