4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine

C17H19N3O — CID 700365

IUPAC4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine
SMILESC1=C(N2CCOCC2)/C(=C/c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H19N3O/c1-2-6-15-14(5-1)18-17(19-15)12-13-4-3-7-16(13)20-8-10-21-11-9-20/h1-2,5-7,12H,3-4,8-11H2,(H,18,19)/b13-12+
InChIKeyYDEMYZDEBCJWGP-OUKQBFOZSA-N
MW281.36 g/mol
LogP2.96
Rot. Bonds2

About 4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine

4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine (PubChem CID 700365) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine.

Molecular Properties

Compound Name4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine
PubChem CID700365
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine
SMILESC1=C(N2CCOCC2)/C(=C/c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H19N3O/c1-2-6-15-14(5-1)18-17(19-15)12-13-4-3-7-16(13)20-8-10-21-11-9-20/h1-2,5-7,12H,3-4,8-11H2,(H,18,19)/b13-12+
InChIKeyYDEMYZDEBCJWGP-OUKQBFOZSA-N
XLogP2.96
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine?
The IUPAC name of 4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine (CID 700365) is 4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine.
What is the SMILES notation for 4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine?
The canonical SMILES for 4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine is C1=C(N2CCOCC2)/C(=C/c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine?
The InChIKey is YDEMYZDEBCJWGP-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-6-15-14(5-1)18-17(19-15)12-13-4-3-7-16(13)20-8-10-21-11-9-20/h1-2,5-7,12H,3-4,8-11H2,(H,18,19)/b13-12+.
What are the key properties of 4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine?
4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine has a molecular weight of 281.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)cyclopenten-1-yl]morpholine is sourced from PubChem (CID 700365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).