3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide

C15H21N3O2 — CID 65114475

IUPAC3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide
SMILESCCC(C)(O)CNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-15(2,20)10-16-14(19)8-9-18-11-17-12-6-4-5-7-13(12)18/h4-7,11,20H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyZGHAUODQFXKDLH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.70
Rot. Bonds6

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

3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide (PubChem CID 65114475) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide
PubChem CID65114475
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide
SMILESCCC(C)(O)CNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-15(2,20)10-16-14(19)8-9-18-11-17-12-6-4-5-7-13(12)18/h4-7,11,20H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyZGHAUODQFXKDLH-UHFFFAOYSA-N
XLogP1.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
CID 103681678
3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111520132
2-[3-(benzimidazol-1-yl)propanoylamino]-2-methylbutanoic acid
CID 79789545
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanoic acid
CID 66167640
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
CID 107362610
3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide
CID 122230767
2-(benzimidazol-1-yl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712179
3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 34166297

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide (CID 65114475) is 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide is CCC(C)(O)CNC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide?
The InChIKey is ZGHAUODQFXKDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-15(2,20)10-16-14(19)8-9-18-11-17-12-6-4-5-7-13(12)18/h4-7,11,20H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide?
3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide is sourced from PubChem (CID 65114475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).