N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide

C14H19N3O2 — CID 136571287

IUPACN-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide
SMILESCCC(=O)NC(C)(CO)Cn1cnc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-3-13(19)16-14(2,9-18)8-17-10-15-11-6-4-5-7-12(11)17/h4-7,10,18H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyVFWVIIQEYBISKL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.31
Rot. Bonds5

About N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide

N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide (PubChem CID 136571287) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide
PubChem CID136571287
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide
SMILESCCC(=O)NC(C)(CO)Cn1cnc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-3-13(19)16-14(2,9-18)8-17-10-15-11-6-4-5-7-12(11)17/h4-7,10,18H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyVFWVIIQEYBISKL-UHFFFAOYSA-N
XLogP1.31
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(furan-2-yl)acetamide
CID 164632552
N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 167896137
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
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(benzimidazol-1-yl)propanamide
CID 119598214
methyl 2-amino-3-(benzimidazol-1-yl)propanoate
CID 20794416
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65315452
(3S)-4-(benzimidazol-1-yl)-3-hydroxy-3-methyl-1-(4-methylphenyl)butan-2-one
CID 158532157
3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114475
3-(benzimidazol-1-yl)-2-methyl-2-[(1-methylimidazole-4-carbonyl)amino]propanoic acid
CID 136572132
2-acetamido-3-(benzimidazol-1-yl)propanoic acid
CID 64583290

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide?
The IUPAC name of N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide (CID 136571287) is N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide.
What is the SMILES notation for N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide?
The canonical SMILES for N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide is CCC(=O)NC(C)(CO)Cn1cnc2ccccc21.
What is the InChIKey of N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide?
The InChIKey is VFWVIIQEYBISKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-13(19)16-14(2,9-18)8-17-10-15-11-6-4-5-7-12(11)17/h4-7,10,18H,3,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide?
N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide has a molecular weight of 261.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzimidazol-1-yl)-3-hydroxy-2-methylpropan-2-yl]propanamide is sourced from PubChem (CID 136571287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).