5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

C32H28Cl2N4O — CID 157404039

IUPAC5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCC1=NC=C(c2cccc(-c3nc4c(n3C(C)C)C(c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C4=O)c2)C1
InChIInChI=1S/C32H28Cl2N4O/c1-18(2)37-30-28(36-31(37)23-7-5-6-22(15-23)24-14-20(4)35-17-24)32(39)38(27-16-26(34)11-8-19(27)3)29(30)21-9-12-25(33)13-10-21/h5-13,15-18,29H,14H2,1-4H3
InChIKeyBNMTXYZYQBYBFF-UHFFFAOYSA-N
MW555.51 g/mol
LogP8.70
Rot. Bonds5

About 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 157404039) has the molecular formula C32H28Cl2N4O and a molecular weight of 555.51 g/mol. Its IUPAC name is 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

Compound Name5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
PubChem CID157404039
Molecular FormulaC32H28Cl2N4O
Molecular Weight555.51 g/mol
Exact Mass554.16
IUPAC Name5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCC1=NC=C(c2cccc(-c3nc4c(n3C(C)C)C(c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C4=O)c2)C1
InChIInChI=1S/C32H28Cl2N4O/c1-18(2)37-30-28(36-31(37)23-7-5-6-22(15-23)24-14-20(4)35-17-24)32(39)38(27-16-26(34)11-8-19(27)3)29(30)21-9-12-25(33)13-10-21/h5-13,15-18,29H,14H2,1-4H3
InChIKeyBNMTXYZYQBYBFF-UHFFFAOYSA-N
XLogP8.70
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.51
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3-methoxybenzonitrile
CID 86766865
2-[4-[5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-5-methoxy-2-pyridinyl]acetonitrile
CID 86766923
5-(5-chloro-2-methylphenyl)-4-(4-isocyanophenyl)-2-[4-methoxy-2-(methylamino)pyrimidin-5-yl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766877
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-(4-methoxy-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 71678261
3-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-hydroxy-N-propan-2-ylbenzamide
CID 137301304
4-[(4R)-5-(5-chloro-2-methylphenyl)-2-[2-(cyanomethyl)-5-methoxy-4-pyridinyl]-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-4-yl]benzonitrile
CID 86767017
2-bromo-5-(5-chloro-2-methylphenyl)-4-cyclohexyl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 138657331
(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 71679278
3-[5-(3-chlorophenyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-4-methoxybenzonitrile
CID 86766986
4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-2-[2-(3-hydroxy-3-methylazetidin-1-yl)-4-methoxypyrimidin-5-yl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766894
(4R)-4-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-yl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567782
5-(3-chloro-2-fluorophenyl)-4-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 71679931

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-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-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (CID 157404039) is 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-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-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-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-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is CC1=NC=C(c2cccc(-c3nc4c(n3C(C)C)C(c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C4=O)c2)C1.
What is the InChIKey of 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The InChIKey is BNMTXYZYQBYBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Cl2N4O/c1-18(2)37-30-28(36-31(37)23-7-5-6-22(15-23)24-14-20(4)35-17-24)32(39)38(27-16-26(34)11-8-19(27)3)29(30)21-9-12-25(33)13-10-21/h5-13,15-18,29H,14H2,1-4H3.
What are the key properties of 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one has a molecular weight of 555.51 g/mol, XLogP of 8.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylphenyl)-4-(4-chlorophenyl)-2-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 157404039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).