4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine

C19H16N4O — CID 11726830

IUPAC4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine
SMILESNC1=NC(c2nc3ccccc3[nH]2)=CC(/C=C/c2ccccc2)O1
InChIInChI=1S/C19H16N4O/c20-19-23-17(18-21-15-8-4-5-9-16(15)22-18)12-14(24-19)11-10-13-6-2-1-3-7-13/h1-12,14H,(H2,20,23)(H,21,22)/b11-10+
InChIKeyNSDPUHMKXLHRDX-ZHACJKMWSA-N
MW316.36 g/mol
LogP3.33
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine

4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine (PubChem CID 11726830) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine
PubChem CID11726830
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine
SMILESNC1=NC(c2nc3ccccc3[nH]2)=CC(/C=C/c2ccccc2)O1
InChIInChI=1S/C19H16N4O/c20-19-23-17(18-21-15-8-4-5-9-16(15)22-18)12-14(24-19)11-10-13-6-2-1-3-7-13/h1-12,14H,(H2,20,23)(H,21,22)/b11-10+
InChIKeyNSDPUHMKXLHRDX-ZHACJKMWSA-N
XLogP3.33
TPSA76.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole
CID 135470365
2-(1H-benzimidazol-2-yl)-3-hydroxy-5-[(E)-2-phenylethenyl]cyclohex-2-en-1-one
CID 135727187
CID 121235374
CID 121235374
N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine
CID 155804592
2-phenyl-1H-benzimidazole;zinc
CID 174639851
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
CID 2749986
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine (CID 11726830) is 4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine is NC1=NC(c2nc3ccccc3[nH]2)=CC(/C=C/c2ccccc2)O1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine?
The InChIKey is NSDPUHMKXLHRDX-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16N4O/c20-19-23-17(18-21-15-8-4-5-9-16(15)22-18)12-14(24-19)11-10-13-6-2-1-3-7-13/h1-12,14H,(H2,20,23)(H,21,22)/b11-10+.
What are the key properties of 4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine?
4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine has a molecular weight of 316.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-6-[(E)-2-phenylethenyl]-6H-1,3-oxazin-2-amine is sourced from PubChem (CID 11726830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).