7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole

C22H23N3O — CID 159306750

IUPAC7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole
SMILESCc1cc(C)c(-n2c(-c3cccc4nc(C)oc34)nc(C)c2C)c(C)c1
InChIInChI=1S/C22H23N3O/c1-12-10-13(2)20(14(3)11-12)25-16(5)15(4)23-22(25)18-8-7-9-19-21(18)26-17(6)24-19/h7-11H,1-6H3
InChIKeyONIGKZYIUYHRCO-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.53
Rot. Bonds2

About 7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole

7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole (PubChem CID 159306750) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole
PubChem CID159306750
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole
SMILESCc1cc(C)c(-n2c(-c3cccc4nc(C)oc34)nc(C)c2C)c(C)c1
InChIInChI=1S/C22H23N3O/c1-12-10-13(2)20(14(3)11-12)25-16(5)15(4)23-22(25)18-8-7-9-19-21(18)26-17(6)24-19/h7-11H,1-6H3
InChIKeyONIGKZYIUYHRCO-UHFFFAOYSA-N
XLogP5.53
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669778
2-[9-(3,5-difluorophenyl)dibenzofuran-4-yl]-1-(2,4,6-trimethylphenyl)benzimidazole
CID 156657519
2-dibenzofuran-4-yl-4,6-dimethyl-3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-4-ium
CID 164825451
2-phenyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156670300
3-propan-2-yl-6-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 176644255
5-methyl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669036
5-methyl-2-[3-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazol-5-yl]phenol
CID 3493364
3-(2-methyl-1,3-benzoxazol-7-yl)-1,2-oxazole-5-carboxylic acid
CID 117361903
5-(2-methyl-1-benzofuran-7-yl)-1-(2,4,6-trimethylphenyl)-1,2,4-triazole
CID 161174598
7-bromo-2-methylcyclohepta[d][1,3]oxazol-8-one
CID 14042916
2-tert-butyl-5-methyl-8-[1-(2,4,6-trimethylphenyl)benzo[e]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156668881
1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)benzimidazole
CID 156657597

Frequently Asked Questions

What is the IUPAC name of 7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole?
The IUPAC name of 7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole (CID 159306750) is 7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole is Cc1cc(C)c(-n2c(-c3cccc4nc(C)oc34)nc(C)c2C)c(C)c1.
What is the InChIKey of 7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole?
The InChIKey is ONIGKZYIUYHRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-12-10-13(2)20(14(3)11-12)25-16(5)15(4)23-22(25)18-8-7-9-19-21(18)26-17(6)24-19/h7-11H,1-6H3.
What are the key properties of 7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole?
7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole has a molecular weight of 345.45 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4,5-dimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 159306750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).