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

C16H23N3O2 — CID 122230767

IUPAC3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide
SMILESCC(C)(C)C(CO)NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-16(2,3)14(10-20)18-15(21)8-9-19-11-17-12-6-4-5-7-13(12)19/h4-7,11,14,20H,8-10H2,1-3H3,(H,18,21)
InChIKeySUQNXCVZUJLOKT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.95
Rot. Bonds5

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

3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide (PubChem CID 122230767) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide
PubChem CID122230767
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide
SMILESCC(C)(C)C(CO)NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-16(2,3)14(10-20)18-15(21)8-9-19-11-17-12-6-4-5-7-13(12)19/h4-7,11,14,20H,8-10H2,1-3H3,(H,18,21)
InChIKeySUQNXCVZUJLOKT-UHFFFAOYSA-N
XLogP1.95
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
2-[3-(benzimidazol-1-yl)propanoylamino]-2-methylbutanoic acid
CID 79789545
3-(benzimidazol-1-yl)-N-(1-cyclohexyl-2-hydroxyethyl)propanamide
CID 122230769
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide
CID 119598214
3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114475
3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111520132
3-(benzimidazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134012965
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
CID 107362610
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60554892
propan-2-yl (3R)-3-[3-(benzimidazol-1-yl)propanoylamino]-3-phenylpropanoate
CID 39168946
N-(1-aminohexan-2-yl)-3-(benzimidazol-1-yl)propanamide;dihydrochloride
CID 119665891

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide (CID 122230767) is 3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide is CC(C)(C)C(CO)NC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide?
The InChIKey is SUQNXCVZUJLOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)14(10-20)18-15(21)8-9-19-11-17-12-6-4-5-7-13(12)19/h4-7,11,14,20H,8-10H2,1-3H3,(H,18,21).
What are the key properties of 3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide?
3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.95, 5 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-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide is sourced from PubChem (CID 122230767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).