3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide

C16H24N4O — CID 106277886

IUPAC3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)Cn1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C16H24N4O/c1-10(2)14-19-12-8-11(17)6-7-13(12)20(14)9-16(3,4)15(21)18-5/h6-8,10H,9,17H2,1-5H3,(H,18,21)
InChIKeyPDOVHOGTSLKEMX-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.51
Rot. Bonds4

About 3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide

3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide (PubChem CID 106277886) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide
PubChem CID106277886
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)Cn1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C16H24N4O/c1-10(2)14-19-12-8-11(17)6-7-13(12)20(14)9-16(3,4)15(21)18-5/h6-8,10H,9,17H2,1-5H3,(H,18,21)
InChIKeyPDOVHOGTSLKEMX-UHFFFAOYSA-N
XLogP2.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62494966
N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide
CID 62507368
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,2,2-trimethylpropanamide
CID 106278840
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
CID 106240243
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360481
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800
3-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-2,2-dimethylpropanamide
CID 106278745
1-[(2-methylphenyl)methyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62506386
2-(5-amino-2-methylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 62506711

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide (CID 106277886) is 3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)Cn1c(C(C)C)nc2cc(N)ccc21.
What is the InChIKey of 3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide?
The InChIKey is PDOVHOGTSLKEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10(2)14-19-12-8-11(17)6-7-13(12)20(14)9-16(3,4)15(21)18-5/h6-8,10H,9,17H2,1-5H3,(H,18,21).
What are the key properties of 3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide?
3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide has a molecular weight of 288.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106277886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).