5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine

C21H17N5O — CID 122447513

IUPAC5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1
InChIInChI=1S/C21H17N5O/c1-26(2)15-9-14(11-22-12-15)13-7-8-18-19(10-13)27-21(25-18)20-23-16-5-3-4-6-17(16)24-20/h3-12H,1-2H3,(H,23,24)
InChIKeyVHXMVJZOVQRROZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.50
Rot. Bonds3

About 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine

5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 122447513) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine
PubChem CID122447513
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1
InChIInChI=1S/C21H17N5O/c1-26(2)15-9-14(11-22-12-15)13-7-8-18-19(10-13)27-21(25-18)20-23-16-5-3-4-6-17(16)24-20/h3-12H,1-2H3,(H,23,24)
InChIKeyVHXMVJZOVQRROZ-UHFFFAOYSA-N
XLogP4.50
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-yl)-6-(6-fluoro-5-methoxy-3-pyridinyl)-1,3-benzoxazole
CID 122447487
5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N-ethylpyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid)
CID 122447587
N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-2-chloro-3-pyridinyl]ethanesulfonamide
CID 122447496
2-(1H-benzimidazol-2-yl)-6-(3,4-difluorophenyl)-1,3-benzoxazole;2,2,2-trifluoroacetic acid
CID 122447497
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
CID 90927480
5-[3-(1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 139424492
2-(1H-benzimidazol-2-yl)-6-(2-ethylindazol-6-yl)-1,3-benzoxazole;bis(2,2,2-trifluoroacetic acid)
CID 122447481
2-(1H-benzimidazol-2-yl)-5-chloro-1,3-benzoxazole
CID 135692693
2-[4-[12-[4-(1H-benzimidazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-benzoxazole
CID 157060243
5-(1H-benzimidazol-2-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-benzoxazole
CID 142421175
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline
CID 168555503

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine?
The IUPAC name of 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine (CID 122447513) is 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine is CN(C)c1cncc(-c2ccc3nc(-c4nc5ccccc5[nH]4)oc3c2)c1.
What is the InChIKey of 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine?
The InChIKey is VHXMVJZOVQRROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-26(2)15-9-14(11-22-12-15)13-7-8-18-19(10-13)27-21(25-18)20-23-16-5-3-4-6-17(16)24-20/h3-12H,1-2H3,(H,23,24).
What are the key properties of 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine?
5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 355.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 122447513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).