N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

C26H27N3O2 — CID 5434120

IUPACN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESCc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1C1CCCCC1
InChIInChI=1S/C26H27N3O2/c1-17-14-20(18(2)29(17)21-9-4-3-5-10-21)16-27-28-26(30)25-15-23-22-11-7-6-8-19(22)12-13-24(23)31-25/h6-8,11-16,21H,3-5,9-10H2,1-2H3,(H,28,30)/b27-16-
InChIKeyHVJLIGPBXMTJFT-YUMHPJSZSA-N
MW413.52 g/mol
LogP6.27
Rot. Bonds4

About N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide

N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (PubChem CID 5434120) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
PubChem CID5434120
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
SMILESCc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1C1CCCCC1
InChIInChI=1S/C26H27N3O2/c1-17-14-20(18(2)29(17)21-9-4-3-5-10-21)16-27-28-26(30)25-15-23-22-11-7-6-8-19(22)12-13-24(23)31-25/h6-8,11-16,21H,3-5,9-10H2,1-2H3,(H,28,30)/b27-16-
InChIKeyHVJLIGPBXMTJFT-YUMHPJSZSA-N
XLogP6.27
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1027402
N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876408
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
CID 9149292
N-[[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1027827
N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 5411631
N-[(E)-benzylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 11995312
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9147614
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876424
N-[(3-bromo-4-methylphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 1003012
N-[(E)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126412088
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 91970189
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-3-methylbutanamide
CID 9154161

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide (CID 5434120) is N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is Cc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1C1CCCCC1.
What is the InChIKey of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
The InChIKey is HVJLIGPBXMTJFT-YUMHPJSZSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-17-14-20(18(2)29(17)21-9-4-3-5-10-21)16-27-28-26(30)25-15-23-22-11-7-6-8-19(22)12-13-24(23)31-25/h6-8,11-16,21H,3-5,9-10H2,1-2H3,(H,28,30)/b27-16-.
What are the key properties of N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide?
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide is sourced from PubChem (CID 5434120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).