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

C17H25N3O2 — CID 111520132

IUPAC3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(O)CC(C)(C)CNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C17H25N3O2/c1-13(21)10-17(2,3)11-18-16(22)8-9-20-12-19-14-6-4-5-7-15(14)20/h4-7,12-13,21H,8-11H2,1-3H3,(H,18,22)
InChIKeyFLCKFMYWBVDVBR-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.34
Rot. Bonds7

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

3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide (PubChem CID 111520132) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
PubChem CID111520132
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
SMILESCC(O)CC(C)(C)CNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C17H25N3O2/c1-13(21)10-17(2,3)11-18-16(22)8-9-20-12-19-14-6-4-5-7-15(14)20/h4-7,12-13,21H,8-11H2,1-3H3,(H,18,22)
InChIKeyFLCKFMYWBVDVBR-UHFFFAOYSA-N
XLogP2.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-3-(4-oxoquinazolin-3-yl)propanamide
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3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
CID 103681678
1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111478766
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanoic acid
CID 66167640
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide
CID 119598214
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-[3-(benzimidazol-1-yl)propanoylamino]-2-methylbutanoic acid
CID 79789545
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide (CID 111520132) is 3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide is CC(O)CC(C)(C)CNC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide?
The InChIKey is FLCKFMYWBVDVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(21)10-17(2,3)11-18-16(22)8-9-20-12-19-14-6-4-5-7-15(14)20/h4-7,12-13,21H,8-11H2,1-3H3,(H,18,22).
What are the key properties of 3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide?
3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide has a molecular weight of 303.41 g/mol, XLogP of 2.34, 7 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-(4-hydroxy-2,2-dimethylpentyl)propanamide is sourced from PubChem (CID 111520132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).