N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine

C20H20N4O — CID 70688923

IUPACN-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine
SMILESCC(C)(C)c1ccc(Nc2nc3ccc(-c4ccno4)cc3[nH]2)cc1
InChIInChI=1S/C20H20N4O/c1-20(2,3)14-5-7-15(8-6-14)22-19-23-16-9-4-13(12-17(16)24-19)18-10-11-21-25-18/h4-12H,1-3H3,(H2,22,23,24)
InChIKeyQDRJTUHMHWQFRY-UHFFFAOYSA-N
MW332.41 g/mol
LogP5.26
Rot. Bonds3

About N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine

N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine (PubChem CID 70688923) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine
PubChem CID70688923
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine
SMILESCC(C)(C)c1ccc(Nc2nc3ccc(-c4ccno4)cc3[nH]2)cc1
InChIInChI=1S/C20H20N4O/c1-20(2,3)14-5-7-15(8-6-14)22-19-23-16-9-4-13(12-17(16)24-19)18-10-11-21-25-18/h4-12H,1-3H3,(H2,22,23,24)
InChIKeyQDRJTUHMHWQFRY-UHFFFAOYSA-N
XLogP5.26
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine (CID 70688923) is N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine is CC(C)(C)c1ccc(Nc2nc3ccc(-c4ccno4)cc3[nH]2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine?
The InChIKey is QDRJTUHMHWQFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-20(2,3)14-5-7-15(8-6-14)22-19-23-16-9-4-13(12-17(16)24-19)18-10-11-21-25-18/h4-12H,1-3H3,(H2,22,23,24).
What are the key properties of N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine?
N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine has a molecular weight of 332.41 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-(1,2-oxazol-5-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 70688923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).