2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile

C31H18ClN5O — CID 170174325

IUPAC2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
SMILESCn1c(-c2ccc(Cl)cc2)nc2c1cc(/C=C1\C(=O)c3ccccc3C1=C(C#N)C#N)n2-c1ccccc1
InChIInChI=1S/C31H18ClN5O/c1-36-27-16-23(15-26-28(20(17-33)18-34)24-9-5-6-10-25(24)29(26)38)37(22-7-3-2-4-8-22)31(27)35-30(36)19-11-13-21(32)14-12-19/h2-16H,1H3/b26-15-
InChIKeyGRWNGSVULRFRDS-YSMPRRRNSA-N
MW511.97 g/mol
LogP6.77
Rot. Bonds3

About 2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile

2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile (PubChem CID 170174325) has the molecular formula C31H18ClN5O and a molecular weight of 511.97 g/mol. Its IUPAC name is 2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
PubChem CID170174325
Molecular FormulaC31H18ClN5O
Molecular Weight511.97 g/mol
Exact Mass511.12
IUPAC Name2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
SMILESCn1c(-c2ccc(Cl)cc2)nc2c1cc(/C=C1\C(=O)c3ccccc3C1=C(C#N)C#N)n2-c1ccccc1
InChIInChI=1S/C31H18ClN5O/c1-36-27-16-23(15-26-28(20(17-33)18-34)24-9-5-6-10-25(24)29(26)38)37(22-7-3-2-4-8-22)31(27)35-30(36)19-11-13-21(32)14-12-19/h2-16H,1H3/b26-15-
InChIKeyGRWNGSVULRFRDS-YSMPRRRNSA-N
XLogP6.77
TPSA87.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.97
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile with MolForge

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

Launch Full Analysis

Related Compounds

5,6-Difluoro-2-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]indene-1,3-dione
CID 168735510
2-[[4-Methyl-5-phenyl-1-(trifluoromethyl)pyrrolo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168736018
4,7-Difluoro-2-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]indene-1,3-dione
CID 168736035
4,5,6,7-Tetrafluoro-2-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]indene-1,3-dione
CID 168736048
4,7-Difluoro-2-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]indene-1,3-dione
CID 168736288
4,5,6,7-Tetrafluoro-2-[(1-methyl-2,4-diphenylpyrrolo[2,3-d]imidazol-5-yl)methylidene]indene-1,3-dione
CID 169798241
5,6-Difluoro-2-[(1-methyl-2,4-diphenylpyrrolo[2,3-d]imidazol-5-yl)methylidene]indene-1,3-dione
CID 169798249
4,7-Difluoro-2-[(1-methyl-2,4-diphenylpyrrolo[2,3-d]imidazol-5-yl)methylidene]indene-1,3-dione
CID 169798257
5,6-Dichloro-2-[[1-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]imidazol-5-yl]methylidene]indene-1,3-dione
CID 169798274
2-[(2Z)-2-[[2-(4-fluorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 169798282
5,6-Dichloro-2-[[2-(4-fluorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]indene-1,3-dione
CID 169798284
2-[(2Z)-2-[[1-methyl-2-(2,3,4,5,6-pentafluorophenyl)-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 169798286

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile?
The IUPAC name of 2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile (CID 170174325) is 2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile is Cn1c(-c2ccc(Cl)cc2)nc2c1cc(/C=C1\C(=O)c3ccccc3C1=C(C#N)C#N)n2-c1ccccc1.
What is the InChIKey of 2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile?
The InChIKey is GRWNGSVULRFRDS-YSMPRRRNSA-N. The full InChI is InChI=1S/C31H18ClN5O/c1-36-27-16-23(15-26-28(20(17-33)18-34)24-9-5-6-10-25(24)29(26)38)37(22-7-3-2-4-8-22)31(27)35-30(36)19-11-13-21(32)14-12-19/h2-16H,1H3/b26-15-.
What are the key properties of 2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile?
2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile has a molecular weight of 511.97 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[[2-(4-chlorophenyl)-1-methyl-4-phenylpyrrolo[2,3-d]imidazol-5-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile is sourced from PubChem (CID 170174325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).