2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide

C15H21N3O3 — CID 103876740

IUPAC2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)C(C)n1cnc2ccccc21
InChIInChI=1S/C15H21N3O3/c1-11(15(20)16-8-7-12(19)9-21-2)18-10-17-13-5-3-4-6-14(13)18/h3-6,10-12,19H,7-9H2,1-2H3,(H,16,20)
InChIKeyVOZBACMZGBCIOB-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.11
Rot. Bonds7

About 2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide

2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide (PubChem CID 103876740) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide
PubChem CID103876740
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide
SMILESCOCC(O)CCNC(=O)C(C)n1cnc2ccccc21
InChIInChI=1S/C15H21N3O3/c1-11(15(20)16-8-7-12(19)9-21-2)18-10-17-13-5-3-4-6-14(13)18/h3-6,10-12,19H,7-9H2,1-2H3,(H,16,20)
InChIKeyVOZBACMZGBCIOB-UHFFFAOYSA-N
XLogP1.11
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986
methyl 6-[2-(benzimidazol-1-yl)propanoylamino]hexanoate
CID 46429398
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
(2S)-2-(benzimidazol-1-yl)-N-[4-(4-chlorophenoxy)butyl]propanamide
CID 51729342
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
2-(benzimidazol-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]propanamide
CID 46604692
benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate
CID 43063893
N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 95148434
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide
CID 56750658
methyl 3-(benzimidazol-1-yl)butanoate
CID 43536389

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide (CID 103876740) is 2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide is COCC(O)CCNC(=O)C(C)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide?
The InChIKey is VOZBACMZGBCIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(15(20)16-8-7-12(19)9-21-2)18-10-17-13-5-3-4-6-14(13)18/h3-6,10-12,19H,7-9H2,1-2H3,(H,16,20).
What are the key properties of 2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide?
2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide is sourced from PubChem (CID 103876740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).