5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

C29H28Cl2N4O2 — CID 86766871

IUPAC5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCCc1nc(OC)ccc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C29H28Cl2N4O2/c1-6-22-21(13-14-24(32-22)37-5)28-33-25-27(34(28)16(2)3)26(18-8-11-19(30)12-9-18)35(29(25)36)23-15-20(31)10-7-17(23)4/h7-16,26H,6H2,1-5H3
InChIKeySPHGMLFGVFUINR-UHFFFAOYSA-N
MW535.48 g/mol
LogP7.46
Rot. Bonds6

About 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 86766871) has the molecular formula C29H28Cl2N4O2 and a molecular weight of 535.48 g/mol. Its IUPAC name is 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

Compound Name5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
PubChem CID86766871
Molecular FormulaC29H28Cl2N4O2
Molecular Weight535.48 g/mol
Exact Mass534.16
IUPAC Name5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCCc1nc(OC)ccc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
InChIInChI=1S/C29H28Cl2N4O2/c1-6-22-21(13-14-24(32-22)37-5)28-33-25-27(34(28)16(2)3)26(18-8-11-19(30)12-9-18)35(29(25)36)23-15-20(31)10-7-17(23)4/h7-16,26H,6H2,1-5H3
InChIKeySPHGMLFGVFUINR-UHFFFAOYSA-N
XLogP7.46
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.48
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The IUPAC name of 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (CID 86766871) is 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.
What is the SMILES notation for 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The canonical SMILES for 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is CCc1nc(OC)ccc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O.
What is the InChIKey of 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The InChIKey is SPHGMLFGVFUINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4O2/c1-6-22-21(13-14-24(32-22)37-5)28-33-25-27(34(28)16(2)3)26(18-8-11-19(30)12-9-18)35(29(25)36)23-15-20(31)10-7-17(23)4/h7-16,26H,6H2,1-5H3.
What are the key properties of 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one has a molecular weight of 535.48 g/mol, XLogP of 7.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-(2-ethyl-6-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 86766871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).