4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide

C20H21N3O3 — CID 162854652

IUPAC4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2COCc3nc4ccc(C)cc4n32)cc1
InChIInChI=1S/C20H21N3O3/c1-13-3-8-17-18(9-13)23-15(11-26-12-19(23)22-17)10-21-20(24)14-4-6-16(25-2)7-5-14/h3-9,15H,10-12H2,1-2H3,(H,21,24)
InChIKeyCRIVMKUDYZIZJR-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.85
Rot. Bonds4

About 4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide

4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide (PubChem CID 162854652) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide
PubChem CID162854652
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2COCc3nc4ccc(C)cc4n32)cc1
InChIInChI=1S/C20H21N3O3/c1-13-3-8-17-18(9-13)23-15(11-26-12-19(23)22-17)10-21-20(24)14-4-6-16(25-2)7-5-14/h3-9,15H,10-12H2,1-2H3,(H,21,24)
InChIKeyCRIVMKUDYZIZJR-UHFFFAOYSA-N
XLogP2.85
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide?
The IUPAC name of 4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide (CID 162854652) is 4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide is COc1ccc(C(=O)NCC2COCc3nc4ccc(C)cc4n32)cc1.
What is the InChIKey of 4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide?
The InChIKey is CRIVMKUDYZIZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-3-8-17-18(9-13)23-15(11-26-12-19(23)22-17)10-21-20(24)14-4-6-16(25-2)7-5-14/h3-9,15H,10-12H2,1-2H3,(H,21,24).
What are the key properties of 4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide?
4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide is sourced from PubChem (CID 162854652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).