2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide

C15H21N3O2 — CID 115968731

IUPAC2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCC(C(=O)NC(C)(C)CCO)n1cnc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-11(14(20)17-15(2,3)8-9-19)18-10-16-12-6-4-5-7-13(12)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,17,20)
InChIKeyXSHFRGODKXOXAK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.87
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide

2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide (PubChem CID 115968731) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
PubChem CID115968731
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCC(C(=O)NC(C)(C)CCO)n1cnc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-11(14(20)17-15(2,3)8-9-19)18-10-16-12-6-4-5-7-13(12)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,17,20)
InChIKeyXSHFRGODKXOXAK-UHFFFAOYSA-N
XLogP1.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
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N-benzhydryl-2-(benzimidazol-1-yl)propanamide
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CID 43063893
2-(benzimidazol-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
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4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
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2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide
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(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
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methyl 6-[2-(benzimidazol-1-yl)propanoylamino]hexanoate
CID 46429398
(2S)-2-(benzimidazol-1-yl)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]propanamide
CID 129432897

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide (CID 115968731) is 2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide is CC(C(=O)NC(C)(C)CCO)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The InChIKey is XSHFRGODKXOXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(14(20)17-15(2,3)8-9-19)18-10-16-12-6-4-5-7-13(12)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,17,20).
What are the key properties of 2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 115968731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).