N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide

C19H26N4O2 — CID 50956729

IUPACN-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide
SMILESCC(C)C(Cn1ccnc1)NC(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-15(2)17(13-22-8-7-20-14-22)21-19(24)16-5-3-4-6-18(16)23-9-11-25-12-10-23/h3-8,14-15,17H,9-13H2,1-2H3,(H,21,24)
InChIKeyGQBWVJCOUMQSJQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.17
Rot. Bonds6

About N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide

N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide (PubChem CID 50956729) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide
PubChem CID50956729
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide
SMILESCC(C)C(Cn1ccnc1)NC(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-15(2)17(13-22-8-7-20-14-22)21-19(24)16-5-3-4-6-18(16)23-9-11-25-12-10-23/h3-8,14-15,17H,9-13H2,1-2H3,(H,21,24)
InChIKeyGQBWVJCOUMQSJQ-UHFFFAOYSA-N
XLogP2.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide?
The IUPAC name of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide (CID 50956729) is N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide is CC(C)C(Cn1ccnc1)NC(=O)c1ccccc1N1CCOCC1.
What is the InChIKey of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide?
The InChIKey is GQBWVJCOUMQSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(2)17(13-22-8-7-20-14-22)21-19(24)16-5-3-4-6-18(16)23-9-11-25-12-10-23/h3-8,14-15,17H,9-13H2,1-2H3,(H,21,24).
What are the key properties of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide?
N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 50956729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).