N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine

C22H21FN4O — CID 11337855

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C22H21FN4O/c1-22(2,3)15-7-4-5-9-19(15)28-20-17(8-6-12-24-20)26-21-25-16-11-10-14(23)13-18(16)27-21/h4-13H,1-3H3,(H2,25,26,27)
InChIKeyHTENMJPRWBZJPJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.93
Rot. Bonds4

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine (PubChem CID 11337855) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine
PubChem CID11337855
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C22H21FN4O/c1-22(2,3)15-7-4-5-9-19(15)28-20-17(8-6-12-24-20)26-21-25-16-11-10-14(23)13-18(16)27-21/h4-13H,1-3H3,(H2,25,26,27)
InChIKeyHTENMJPRWBZJPJ-UHFFFAOYSA-N
XLogP5.93
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 69292411
6-[1-(benzylamino)ethyl]-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine
CID 69293022
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(4-phenoxyphenyl)methoxy]ethyl]-1H-benzimidazol-2-amine
CID 69291692
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11408561
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 69287732
6-[1-(4-benzylpiperazin-1-yl)ethyl]-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1H-benzimidazol-2-amine
CID 69287717
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(3-chlorophenyl)methyl-methylamino]ethyl]-1H-benzimidazol-2-amine
CID 69289326
6-tert-butyl-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
CID 11441710
2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-(2,2-dimethylpropyl)-1H-benzimidazole-4-carboxamide
CID 69289316
6-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-1H-benzimidazol-2-amine
CID 103294733
N-benzyl-2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-N-methyl-1H-benzimidazole-4-carboxamide
CID 69291683
5-bromo-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128919

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine (CID 11337855) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine is CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine?
The InChIKey is HTENMJPRWBZJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-22(2,3)15-7-4-5-9-19(15)28-20-17(8-6-12-24-20)26-21-25-16-11-10-14(23)13-18(16)27-21/h4-13H,1-3H3,(H2,25,26,27).
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine has a molecular weight of 376.44 g/mol, XLogP of 5.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 11337855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).