2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine

C17H23N3O — CID 80719474

IUPAC2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine
SMILESCC(C)(C)c1nc2cc(N)ccc2n1C1CC2CCC1O2
InChIInChI=1S/C17H23N3O/c1-17(2,3)16-19-12-8-10(18)4-6-13(12)20(16)14-9-11-5-7-15(14)21-11/h4,6,8,11,14-15H,5,7,9,18H2,1-3H3
InChIKeyAIYBAJHSVDFASD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.41
Rot. Bonds1

About 2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine

2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine (PubChem CID 80719474) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine
PubChem CID80719474
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine
SMILESCC(C)(C)c1nc2cc(N)ccc2n1C1CC2CCC1O2
InChIInChI=1S/C17H23N3O/c1-17(2,3)16-19-12-8-10(18)4-6-13(12)20(16)14-9-11-5-7-15(14)21-11/h4,6,8,11,14-15H,5,7,9,18H2,1-3H3
InChIKeyAIYBAJHSVDFASD-UHFFFAOYSA-N
XLogP3.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 80720002
5,6-dichloro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-2-amine
CID 80720938
2-tert-butyl-1-(thiolan-3-yl)benzimidazol-5-amine
CID 103064824
5,6-dichloro-2-(1-chloroethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole
CID 80716074
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
6-fluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-2-amine
CID 80720770
1-cyclopentyl-2-(2,2-dimethylpropyl)benzimidazol-5-amine
CID 96668227
5-bromo-6-fluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-2-amine
CID 80720509
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine
CID 62507702
2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole-5-carboxylic acid
CID 82777763
1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 62507699

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine (CID 80719474) is 2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine is CC(C)(C)c1nc2cc(N)ccc2n1C1CC2CCC1O2.
What is the InChIKey of 2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine?
The InChIKey is AIYBAJHSVDFASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2,3)16-19-12-8-10(18)4-6-13(12)20(16)14-9-11-5-7-15(14)21-11/h4,6,8,11,14-15H,5,7,9,18H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine?
2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine has a molecular weight of 285.39 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-5-amine is sourced from PubChem (CID 80719474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).