4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine

C21H23N5O3 — CID 121292971

IUPAC4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine
SMILESCc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(N3CCOCC3)[nH]c2c1
InChIInChI=1S/C21H23N5O3/c1-11-18(13(3)28-24-11)15-9-16(19-12(2)25-29-14(19)4)20-17(10-15)22-21(23-20)26-5-7-27-8-6-26/h9-10H,5-8H2,1-4H3,(H,22,23)
InChIKeyYTKSAMOWZHOIJX-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.94
Rot. Bonds3

About 4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine

4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine (PubChem CID 121292971) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine
PubChem CID121292971
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine
SMILESCc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(N3CCOCC3)[nH]c2c1
InChIInChI=1S/C21H23N5O3/c1-11-18(13(3)28-24-11)15-9-16(19-12(2)25-29-14(19)4)20-17(10-15)22-21(23-20)26-5-7-27-8-6-26/h9-10H,5-8H2,1-4H3,(H,22,23)
InChIKeyYTKSAMOWZHOIJX-UHFFFAOYSA-N
XLogP3.94
TPSA93.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine?
The IUPAC name of 4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine (CID 121292971) is 4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine.
What is the SMILES notation for 4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine?
The canonical SMILES for 4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine is Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2nc(N3CCOCC3)[nH]c2c1.
What is the InChIKey of 4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine?
The InChIKey is YTKSAMOWZHOIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-11-18(13(3)28-24-11)15-9-16(19-12(2)25-29-14(19)4)20-17(10-15)22-21(23-20)26-5-7-27-8-6-26/h9-10H,5-8H2,1-4H3,(H,22,23).
What are the key properties of 4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine?
4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine has a molecular weight of 393.45 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]morpholine is sourced from PubChem (CID 121292971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).