4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C20H19N3O2 — CID 121293042

IUPAC4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(C)cc1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12
InChIInChI=1S/C20H19N3O2/c1-11-5-6-18(24-4)15(7-11)16-8-14(9-17-20(16)22-10-21-17)19-12(2)23-25-13(19)3/h5-10H,1-4H3,(H,21,22)
InChIKeyCRURHIRFZNZTDA-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.82
Rot. Bonds3

About 4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 121293042) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID121293042
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(C)cc1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12
InChIInChI=1S/C20H19N3O2/c1-11-5-6-18(24-4)15(7-11)16-8-14(9-17-20(16)22-10-21-17)19-12(2)23-25-13(19)3/h5-10H,1-4H3,(H,21,22)
InChIKeyCRURHIRFZNZTDA-UHFFFAOYSA-N
XLogP4.82
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121293033
3,5-dimethyl-4-[6-(1,3,5-trimethylpyrazol-4-yl)-1H-benzimidazol-4-yl]-1,2-oxazole
CID 121293088
methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158678498
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-pyrimidin-2-yl-1H-benzimidazol-4-amine
CID 121293154
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
5-(2-methoxy-5-methylphenyl)-1H-imidazol-4-amine
CID 82469801
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 58016433
7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene
CID 57358712
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53054209
4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71103207
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
CID 135755223

Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 121293042) is 4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is COc1ccc(C)cc1-c1cc(-c2c(C)noc2C)cc2[nH]cnc12.
What is the InChIKey of 4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is CRURHIRFZNZTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-11-5-6-18(24-4)15(7-11)16-8-14(9-17-20(16)22-10-21-17)19-12(2)23-25-13(19)3/h5-10H,1-4H3,(H,21,22).
What are the key properties of 4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 333.39 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-methoxy-5-methylphenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 121293042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).