5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine

C23H21N5O — CID 178159468

IUPAC5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine
SMILESCC(C)(C)Nc1ncc(-n2cnc3ccccc32)cc1-c1nc2ccccc2o1
InChIInChI=1S/C23H21N5O/c1-23(2,3)27-21-16(22-26-18-9-5-7-11-20(18)29-22)12-15(13-24-21)28-14-25-17-8-4-6-10-19(17)28/h4-14H,1-3H3,(H,24,27)
InChIKeyAKTLPIQTJNGUHH-UHFFFAOYSA-N
MW383.46 g/mol
LogP5.44
Rot. Bonds3

About 5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine

5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine (PubChem CID 178159468) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine
PubChem CID178159468
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine
SMILESCC(C)(C)Nc1ncc(-n2cnc3ccccc32)cc1-c1nc2ccccc2o1
InChIInChI=1S/C23H21N5O/c1-23(2,3)27-21-16(22-26-18-9-5-7-11-20(18)29-22)12-15(13-24-21)28-14-25-17-8-4-6-10-19(17)28/h4-14H,1-3H3,(H,24,27)
InChIKeyAKTLPIQTJNGUHH-UHFFFAOYSA-N
XLogP5.44
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.46
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(1,3-benzoxazol-2-yl)-6-(tert-butylamino)-3-pyridinyl]piperidine-3-carbonyl chloride
CID 89131430
N-tert-butyl-3-(6-fluoro-1,3-benzoxazol-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
CID 178159497
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
1-(7-methyldibenzofuran-3-yl)benzimidazole
CID 137490042
1-[5-(benzimidazol-1-yl)-2-pyridinyl]propan-1-ol
CID 112585509
CID 168730973
CID 168730973
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
9-[8-(benzimidazol-1-yl)dibenzofuran-2-yl]carbazole
CID 58037524
4-(1,3-benzoxazol-2-yl)-1-N-tert-butylbenzene-1,2-diamine;2-(1-tert-butyl-2-methylbenzimidazol-5-yl)-1,3-benzoxazole
CID 160952914
2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1,3-benzoxazol-2-yl)-4-phenyl-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366316

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine?
The IUPAC name of 5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine (CID 178159468) is 5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine.
What is the SMILES notation for 5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine?
The canonical SMILES for 5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine is CC(C)(C)Nc1ncc(-n2cnc3ccccc32)cc1-c1nc2ccccc2o1.
What is the InChIKey of 5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine?
The InChIKey is AKTLPIQTJNGUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-23(2,3)27-21-16(22-26-18-9-5-7-11-20(18)29-22)12-15(13-24-21)28-14-25-17-8-4-6-10-19(17)28/h4-14H,1-3H3,(H,24,27).
What are the key properties of 5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine?
5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine has a molecular weight of 383.46 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-3-(1,3-benzoxazol-2-yl)-N-tert-butylpyridin-2-amine is sourced from PubChem (CID 178159468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).