N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide

C21H20N4O2 — CID 154681722

IUPACN-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide
SMILESCc1cc(C)c(-c2cnc(NC(=O)c3ccc4ocnc4c3)n2C)cc1C
InChIInChI=1S/C21H20N4O2/c1-12-7-14(3)16(8-13(12)2)18-10-22-21(25(18)4)24-20(26)15-5-6-19-17(9-15)23-11-27-19/h5-11H,1-4H3,(H,22,24,26)
InChIKeyKVDMQRUSMXLOAE-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.41
Rot. Bonds3

About N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide

N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide (PubChem CID 154681722) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide
PubChem CID154681722
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide
SMILESCc1cc(C)c(-c2cnc(NC(=O)c3ccc4ocnc4c3)n2C)cc1C
InChIInChI=1S/C21H20N4O2/c1-12-7-14(3)16(8-13(12)2)18-10-22-21(25(18)4)24-20(26)15-5-6-19-17(9-15)23-11-27-19/h5-11H,1-4H3,(H,22,24,26)
InChIKeyKVDMQRUSMXLOAE-UHFFFAOYSA-N
XLogP4.41
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide (CID 154681722) is N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide is Cc1cc(C)c(-c2cnc(NC(=O)c3ccc4ocnc4c3)n2C)cc1C.
What is the InChIKey of N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is KVDMQRUSMXLOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-12-7-14(3)16(8-13(12)2)18-10-22-21(25(18)4)24-20(26)15-5-6-19-17(9-15)23-11-27-19/h5-11H,1-4H3,(H,22,24,26).
What are the key properties of N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide?
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 154681722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).