4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

C23H28N4O2 — CID 24625208

IUPAC4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN1CCOC(CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)C1
InChIInChI=1S/C23H28N4O2/c1-17(2)14-26-11-12-29-20(15-26)13-24-23(28)18-7-9-19(10-8-18)27-16-25-21-5-3-4-6-22(21)27/h3-10,16-17,20H,11-15H2,1-2H3,(H,24,28)
InChIKeyKQMKPGZVPKWYQK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.11
Rot. Bonds6

About 4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide

4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (PubChem CID 24625208) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
PubChem CID24625208
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
SMILESCC(C)CN1CCOC(CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)C1
InChIInChI=1S/C23H28N4O2/c1-17(2)14-26-11-12-29-20(15-26)13-24-23(28)18-7-9-19(10-8-18)27-16-25-21-5-3-4-6-22(21)27/h3-10,16-17,20H,11-15H2,1-2H3,(H,24,28)
InChIKeyKQMKPGZVPKWYQK-UHFFFAOYSA-N
XLogP3.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide
CID 47013454
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
4-(diethylsulfamoyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 8511153
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24560165
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120948973
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46684563
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide (CID 24625208) is 4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is CC(C)CN1CCOC(CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)C1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is KQMKPGZVPKWYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17(2)14-26-11-12-29-20(15-26)13-24-23(28)18-7-9-19(10-8-18)27-16-25-21-5-3-4-6-22(21)27/h3-10,16-17,20H,11-15H2,1-2H3,(H,24,28).
What are the key properties of 4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide?
4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 24625208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).