4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

C22H26N4O4 — CID 21101143

IUPAC4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2c(O)cccc2[nH]1
InChIInChI=1S/C22H26N4O4/c1-29-19-14-15(22(28)23-8-3-9-26-10-12-30-13-11-26)6-7-16(19)21-24-17-4-2-5-18(27)20(17)25-21/h2,4-7,14,27H,3,8-13H2,1H3,(H,23,28)(H,24,25)
InChIKeyOMJQWSMCKAAIHE-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.40
Rot. Bonds7

About 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 21101143) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID21101143
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2c(O)cccc2[nH]1
InChIInChI=1S/C22H26N4O4/c1-29-19-14-15(22(28)23-8-3-9-26-10-12-30-13-11-26)6-7-16(19)21-24-17-4-2-5-18(27)20(17)25-21/h2,4-7,14,27H,3,8-13H2,1H3,(H,23,28)(H,24,25)
InChIKeyOMJQWSMCKAAIHE-UHFFFAOYSA-N
XLogP2.40
TPSA99.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 21101143) is 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is COc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2c(O)cccc2[nH]1.
What is the InChIKey of 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is OMJQWSMCKAAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-29-19-14-15(22(28)23-8-3-9-26-10-12-30-13-11-26)6-7-16(19)21-24-17-4-2-5-18(27)20(17)25-21/h2,4-7,14,27H,3,8-13H2,1H3,(H,23,28)(H,24,25).
What are the key properties of 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 410.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 21101143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).