2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide

C16H24N4O — CID 62493100

IUPAC2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1c(C(C)(C)C)nc2cc(N)ccc21
InChIInChI=1S/C16H24N4O/c1-10(14(21)19(5)6)20-13-8-7-11(17)9-12(13)18-15(20)16(2,3)4/h7-10H,17H2,1-6H3
InChIKeyCLBHWIUJDWQPHR-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.57
Rot. Bonds2

About 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide

2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide (PubChem CID 62493100) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide
PubChem CID62493100
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1c(C(C)(C)C)nc2cc(N)ccc21
InChIInChI=1S/C16H24N4O/c1-10(14(21)19(5)6)20-13-8-7-11(17)9-12(13)18-15(20)16(2,3)4/h7-10H,17H2,1-6H3
InChIKeyCLBHWIUJDWQPHR-UHFFFAOYSA-N
XLogP2.57
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
CID 103113457
3-(5-amino-2-tert-butylbenzimidazol-1-yl)-3-methylbutanamide
CID 106098514
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
CID 103113458
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 62507702
3-(2-tert-butylbenzimidazol-1-yl)butan-2-one
CID 17000493
2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine
CID 62640970
2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N-propylacetamide
CID 62507372
3-[5-amino-2-(trifluoromethyl)benzimidazol-1-yl]-3-methylbutanamide
CID 106098518
1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
CID 113458050
2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310550

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide (CID 62493100) is 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1c(C(C)(C)C)nc2cc(N)ccc21.
What is the InChIKey of 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide?
The InChIKey is CLBHWIUJDWQPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10(14(21)19(5)6)20-13-8-7-11(17)9-12(13)18-15(20)16(2,3)4/h7-10H,17H2,1-6H3.
What are the key properties of 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide?
2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide has a molecular weight of 288.40 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 62493100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).