1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide

C23H28N4O4 — CID 3237563

IUPAC1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)NCCCN4CCOCC4)ccc32)c1
InChIInChI=1S/C23H28N4O4/c1-29-18-5-7-22(30-2)21(15-18)27-16-25-19-14-17(4-6-20(19)27)23(28)24-8-3-9-26-10-12-31-13-11-26/h4-7,14-16H,3,8-13H2,1-2H3,(H,24,28)
InChIKeyQDKYKUZCWRLFBO-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.49
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide

1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide (PubChem CID 3237563) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide
PubChem CID3237563
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)NCCCN4CCOCC4)ccc32)c1
InChIInChI=1S/C23H28N4O4/c1-29-18-5-7-22(30-2)21(15-18)27-16-25-19-14-17(4-6-20(19)27)23(28)24-8-3-9-26-10-12-31-13-11-26/h4-7,14-16H,3,8-13H2,1-2H3,(H,24,28)
InChIKeyQDKYKUZCWRLFBO-UHFFFAOYSA-N
XLogP2.49
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide (CID 3237563) is 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide is COc1ccc(OC)c(-n2cnc3cc(C(=O)NCCCN4CCOCC4)ccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide?
The InChIKey is QDKYKUZCWRLFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-29-18-5-7-22(30-2)21(15-18)27-16-25-19-14-17(4-6-20(19)27)23(28)24-8-3-9-26-10-12-31-13-11-26/h4-7,14-16H,3,8-13H2,1-2H3,(H,24,28).
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide?
1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3237563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).