2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile

C16H12N4S — CID 135641058

IUPAC2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
SMILESN#Cc1c(/N=C/c2nc3ccccc3[nH]2)sc2c1CCC2
InChIInChI=1S/C16H12N4S/c17-8-11-10-4-3-7-14(10)21-16(11)18-9-15-19-12-5-1-2-6-13(12)20-15/h1-2,5-6,9H,3-4,7H2,(H,19,20)/b18-9+
InChIKeyLQDFQZOMXGHNRK-GIJQJNRQSA-N
MW292.37 g/mol
LogP3.74
Rot. Bonds2

About 2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile

2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile (PubChem CID 135641058) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
PubChem CID135641058
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
SMILESN#Cc1c(/N=C/c2nc3ccccc3[nH]2)sc2c1CCC2
InChIInChI=1S/C16H12N4S/c17-8-11-10-4-3-7-14(10)21-16(11)18-9-15-19-12-5-1-2-6-13(12)20-15/h1-2,5-6,9H,3-4,7H2,(H,19,20)/b18-9+
InChIKeyLQDFQZOMXGHNRK-GIJQJNRQSA-N
XLogP3.74
TPSA64.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzothiophen-2-ylmethylideneamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
CID 757878
2-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 135707659
2-[(2,4-dichlorophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 2244469
2-[(2-hydroxy-3-methylphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
CID 3790591
2-[(3,5-dihydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 42034176
2-[(5-phenylsulfanylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 126097186
2-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 135579139
2-[(E)-(3-hydroxy-1-oxo-2-pyridin-2-ylisoquinolin-4-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
CID 135709403
2-[(E)-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
CID 135635189
methyl 4-[(E)-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)iminomethyl]benzoate
CID 17387879
2-[(6-hydroxy-1-naphthalen-1-yl-2,4-dioxopyrimidin-5-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 3691511
2-[(3-bromo-4-hydroxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 1274791

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile?
The IUPAC name of 2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile (CID 135641058) is 2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile.
What is the SMILES notation for 2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile?
The canonical SMILES for 2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile is N#Cc1c(/N=C/c2nc3ccccc3[nH]2)sc2c1CCC2.
What is the InChIKey of 2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile?
The InChIKey is LQDFQZOMXGHNRK-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H12N4S/c17-8-11-10-4-3-7-14(10)21-16(11)18-9-15-19-12-5-1-2-6-13(12)20-15/h1-2,5-6,9H,3-4,7H2,(H,19,20)/b18-9+.
What are the key properties of 2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile?
2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile has a molecular weight of 292.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1H-benzimidazol-2-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile is sourced from PubChem (CID 135641058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).