2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide

C24H22N4O3 — CID 67112830

IUPAC2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1)c1ccccc1O
InChIInChI=1S/C24H22N4O3/c29-22-4-2-1-3-19(22)24(30)25-17-7-10-20-21(15-17)27-23(26-20)16-5-8-18(9-6-16)28-11-13-31-14-12-28/h1-10,15,29H,11-14H2,(H,25,30)(H,26,27)
InChIKeyUNOJRCXAPOPLCS-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.02
Rot. Bonds4

About 2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide

2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 67112830) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID67112830
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1)c1ccccc1O
InChIInChI=1S/C24H22N4O3/c29-22-4-2-1-3-19(22)24(30)25-17-7-10-20-21(15-17)27-23(26-20)16-5-8-18(9-6-16)28-11-13-31-14-12-28/h1-10,15,29H,11-14H2,(H,25,30)(H,26,27)
InChIKeyUNOJRCXAPOPLCS-UHFFFAOYSA-N
XLogP4.02
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide (CID 67112830) is 2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide is O=C(Nc1ccc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c2c1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is UNOJRCXAPOPLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-22-4-2-1-3-19(22)24(30)25-17-7-10-20-21(15-17)27-23(26-20)16-5-8-18(9-6-16)28-11-13-31-14-12-28/h1-10,15,29H,11-14H2,(H,25,30)(H,26,27).
What are the key properties of 2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide?
2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 414.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 67112830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).