4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide

C33H34Cl2N4O3 — CID 86766992

IUPAC4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)NC(C)C)ccc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C33H34Cl2N4O3/c1-17(2)36-32(40)21-9-12-25(27(15-21)42-7)31-37-28-30(38(31)18(3)4)29(24-13-11-22(34)14-20(24)6)39(33(28)41)26-16-23(35)10-8-19(26)5/h8-18,29H,1-7H3,(H,36,40)
InChIKeyGPZBMYSYCTYIPQ-UHFFFAOYSA-N
MW605.57 g/mol
LogP7.95
Rot. Bonds7

About 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide

4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide (PubChem CID 86766992) has the molecular formula C33H34Cl2N4O3 and a molecular weight of 605.57 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide
PubChem CID86766992
Molecular FormulaC33H34Cl2N4O3
Molecular Weight605.57 g/mol
Exact Mass604.20
IUPAC Name4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)NC(C)C)ccc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C33H34Cl2N4O3/c1-17(2)36-32(40)21-9-12-25(27(15-21)42-7)31-37-28-30(38(31)18(3)4)29(24-13-11-22(34)14-20(24)6)39(33(28)41)26-16-23(35)10-8-19(26)5/h8-18,29H,1-7H3,(H,36,40)
InChIKeyGPZBMYSYCTYIPQ-UHFFFAOYSA-N
XLogP7.95
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.57
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide 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-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide (CID 86766992) is 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide is COc1cc(C(=O)NC(C)C)ccc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O.
What is the InChIKey of 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide?
The InChIKey is GPZBMYSYCTYIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34Cl2N4O3/c1-17(2)36-32(40)21-9-12-25(27(15-21)42-7)31-37-28-30(38(31)18(3)4)29(24-13-11-22(34)14-20(24)6)39(33(28)41)26-16-23(35)10-8-19(26)5/h8-18,29H,1-7H3,(H,36,40).
What are the key properties of 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide?
4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide has a molecular weight of 605.57 g/mol, XLogP of 7.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 86766992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).