7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

C23H20N4O4 — CID 72771106

IUPAC7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cc(Nc2nc3cccc(-c4cccc5[nH]cnc45)c3o2)cc(OC)c1OC
InChIInChI=1S/C23H20N4O4/c1-28-18-10-13(11-19(29-2)22(18)30-3)26-23-27-17-9-5-7-15(21(17)31-23)14-6-4-8-16-20(14)25-12-24-16/h4-12H,1-3H3,(H,24,25)(H,26,27)
InChIKeyZWUCWBYYVLQXEP-UHFFFAOYSA-N
MW416.44 g/mol
LogP5.14
Rot. Bonds6

About 7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine

7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (PubChem CID 72771106) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
PubChem CID72771106
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
SMILESCOc1cc(Nc2nc3cccc(-c4cccc5[nH]cnc45)c3o2)cc(OC)c1OC
InChIInChI=1S/C23H20N4O4/c1-28-18-10-13(11-19(29-2)22(18)30-3)26-23-27-17-9-5-7-15(21(17)31-23)14-6-4-8-16-20(14)25-12-24-16/h4-12H,1-3H3,(H,24,25)(H,26,27)
InChIKeyZWUCWBYYVLQXEP-UHFFFAOYSA-N
XLogP5.14
TPSA94.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-Fluoro-6-Methoxyphenyl)-N-(3,4,5-Trimethoxyphenyl)-1,3-Benzoxazol-2-Amine
CID 72771105
7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800423
7-(2-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
CID 24800600
7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800602
7-(quinolin-6-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24800776
7-(pyridin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine
CID 24801650
N-(3-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)methanesulfonamide
CID 46880686
5-(7-Methoxy-3-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 71496097
5-(7-Methoxy-1-methylbenzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 71496205
2-[7-Methoxy-4-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetamide
CID 71496315
5-(7-methoxy-1H-benzimidazol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 71496095
2-[4-Methoxy-7-[4-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-yl]benzimidazol-1-yl]acetonitrile
CID 71496312

Frequently Asked Questions

What is the IUPAC name of 7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The IUPAC name of 7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine (CID 72771106) is 7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is COc1cc(Nc2nc3cccc(-c4cccc5[nH]cnc45)c3o2)cc(OC)c1OC.
What is the InChIKey of 7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
The InChIKey is ZWUCWBYYVLQXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-28-18-10-13(11-19(29-2)22(18)30-3)26-23-27-17-9-5-7-15(21(17)31-23)14-6-4-8-16-20(14)25-12-24-16/h4-12H,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine?
7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine has a molecular weight of 416.44 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-benzimidazol-4-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 72771106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).