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

C16H21N3O2 — CID 114631328

IUPAC3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
SMILESCC1(C)C(O)CC1NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-16(2)13(9-14(16)20)18-15(21)7-8-19-10-17-11-5-3-4-6-12(11)19/h3-6,10,13-14,20H,7-9H2,1-2H3,(H,18,21)
InChIKeyVRORQYCOCXWFKT-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.70
Rot. Bonds4

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

3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide (PubChem CID 114631328) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
PubChem CID114631328
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide
SMILESCC1(C)C(O)CC1NC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-16(2)13(9-14(16)20)18-15(21)7-8-19-10-17-11-5-3-4-6-12(11)19/h3-6,10,13-14,20H,7-9H2,1-2H3,(H,18,21)
InChIKeyVRORQYCOCXWFKT-UHFFFAOYSA-N
XLogP1.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
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3-(benzimidazol-1-yl)-N-benzylpropanamide
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N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
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N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 34166297
3-(benzimidazol-1-yl)-N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]propanamide
CID 136662243
2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63914686

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide (CID 114631328) is 3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide is CC1(C)C(O)CC1NC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
The InChIKey is VRORQYCOCXWFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2)13(9-14(16)20)18-15(21)7-8-19-10-17-11-5-3-4-6-12(11)19/h3-6,10,13-14,20H,7-9H2,1-2H3,(H,18,21).
What are the key properties of 3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide?
3-(benzimidazol-1-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.70, 4 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-(3-hydroxy-2,2-dimethylcyclobutyl)propanamide is sourced from PubChem (CID 114631328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).