5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde

C19H17N3O4 — CID 54576005

IUPAC5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde
SMILESO=Cc1c(O)ccc2[nH]c(-c3ccc(C(=O)N4CCOCC4)cc3)nc12
InChIInChI=1S/C19H17N3O4/c23-11-14-16(24)6-5-15-17(14)21-18(20-15)12-1-3-13(4-2-12)19(25)22-7-9-26-10-8-22/h1-6,11,24H,7-10H2,(H,20,21)
InChIKeyQBOWLMZDORQDOV-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.22
Rot. Bonds3

About 5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde

5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde (PubChem CID 54576005) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde
PubChem CID54576005
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde
SMILESO=Cc1c(O)ccc2[nH]c(-c3ccc(C(=O)N4CCOCC4)cc3)nc12
InChIInChI=1S/C19H17N3O4/c23-11-14-16(24)6-5-15-17(14)21-18(20-15)12-1-3-13(4-2-12)19(25)22-7-9-26-10-8-22/h1-6,11,24H,7-10H2,(H,20,21)
InChIKeyQBOWLMZDORQDOV-UHFFFAOYSA-N
XLogP2.22
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde?
The IUPAC name of 5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde (CID 54576005) is 5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde is O=Cc1c(O)ccc2[nH]c(-c3ccc(C(=O)N4CCOCC4)cc3)nc12.
What is the InChIKey of 5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde?
The InChIKey is QBOWLMZDORQDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-11-14-16(24)6-5-15-17(14)21-18(20-15)12-1-3-13(4-2-12)19(25)22-7-9-26-10-8-22/h1-6,11,24H,7-10H2,(H,20,21).
What are the key properties of 5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde?
5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde has a molecular weight of 351.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[4-(morpholine-4-carbonyl)phenyl]-1H-benzimidazole-4-carbaldehyde is sourced from PubChem (CID 54576005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).