2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine

C17H25N3O — CID 62507702

IUPAC2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine
SMILESCC(C1CCCO1)n1c(C(C)(C)C)nc2cc(N)ccc21
InChIInChI=1S/C17H25N3O/c1-11(15-6-5-9-21-15)20-14-8-7-12(18)10-13(14)19-16(20)17(2,3)4/h7-8,10-11,15H,5-6,9,18H2,1-4H3
InChIKeyVBAZXQKRENDWLR-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.66
Rot. Bonds2

About 2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine

2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine (PubChem CID 62507702) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine
PubChem CID62507702
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine
SMILESCC(C1CCCO1)n1c(C(C)(C)C)nc2cc(N)ccc21
InChIInChI=1S/C17H25N3O/c1-11(15-6-5-9-21-15)20-14-8-7-12(18)10-13(14)19-16(20)17(2,3)4/h7-8,10-11,15H,5-6,9,18H2,1-4H3
InChIKeyVBAZXQKRENDWLR-UHFFFAOYSA-N
XLogP3.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]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

5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazol-2-amine
CID 43662119
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
2-(1-chloroethyl)-5-methyl-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667623
1-[1-(oxolan-2-yl)ethyl]imidazo[4,5-c]pyridin-2-amine
CID 79296615
2-(1-chloroethyl)-5-fluoro-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667615
2-(5-amino-2-tert-butylbenzimidazol-1-yl)-N,N-dimethylpropanamide
CID 62493100
1-(1-cyclopropylethyl)-2-methylbenzimidazol-5-amine
CID 62507037
2-tert-butyl-1-(thiolan-3-yl)benzimidazol-5-amine
CID 103064824
2-(2-chloroethyl)-1-[1-(oxolan-2-yl)ethyl]benzimidazole
CID 43667620
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-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830504

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine (CID 62507702) is 2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine is CC(C1CCCO1)n1c(C(C)(C)C)nc2cc(N)ccc21.
What is the InChIKey of 2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine?
The InChIKey is VBAZXQKRENDWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(15-6-5-9-21-15)20-14-8-7-12(18)10-13(14)19-16(20)17(2,3)4/h7-8,10-11,15H,5-6,9,18H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine?
2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine has a molecular weight of 287.41 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[1-(oxolan-2-yl)ethyl]benzimidazol-5-amine is sourced from PubChem (CID 62507702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).