3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol

C44H46N6O3 — CID 158902719

IUPAC3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol
SMILESCCO.Cc1nc2c(/C=C/c3ccccc3)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(CCc3ccccc3)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C21H21N3O.C21H19N3O.C2H6O/c2*1-13-20(14(2)25-24-13)18-11-17(10-9-16-7-5-4-6-8-16)21-19(12-18)22-15(3)23-21;1-2-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,23);4-12H,1-3H3,(H,22,23);3H,2H2,1H3/b;10-9+;
InChIKeyJFQMWQHUSZTXHC-CTZXAQIWSA-N
MW706.89 g/mol
LogP10.24
Rot. Bonds7

About 3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol

3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol (PubChem CID 158902719) has the molecular formula C44H46N6O3 and a molecular weight of 706.89 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol
PubChem CID158902719
Molecular FormulaC44H46N6O3
Molecular Weight706.89 g/mol
Exact Mass706.36
IUPAC Name3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol
SMILESCCO.Cc1nc2c(/C=C/c3ccccc3)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(CCc3ccccc3)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C21H21N3O.C21H19N3O.C2H6O/c2*1-13-20(14(2)25-24-13)18-11-17(10-9-16-7-5-4-6-8-16)21-19(12-18)22-15(3)23-21;1-2-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,23);4-12H,1-3H3,(H,22,23);3H,2H2,1H3/b;10-9+;
InChIKeyJFQMWQHUSZTXHC-CTZXAQIWSA-N
XLogP10.24
TPSA129.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.89
LogP ≤ 510.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 145173276
4-[7-(2-ethoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 158037863
4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 86282010
4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 159241514
3,5-dimethyl-4-[2-methyl-7-(3-methyl-1,2-thiazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;methane
CID 159721268
4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane
CID 144744361
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597416
3,5-dimethyl-4-[2-methyl-7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-(7-iodo-2-methyl-3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
CID 159395312
methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158678498
CID 159367437
CID 159367437
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-3-ylmethanol
CID 86281212

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol?
The IUPAC name of 3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol (CID 158902719) is 3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol.
What is the SMILES notation for 3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol?
The canonical SMILES for 3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol is CCO.Cc1nc2c(/C=C/c3ccccc3)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(CCc3ccccc3)cc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol?
The InChIKey is JFQMWQHUSZTXHC-CTZXAQIWSA-N. The full InChI is InChI=1S/C21H21N3O.C21H19N3O.C2H6O/c2*1-13-20(14(2)25-24-13)18-11-17(10-9-16-7-5-4-6-8-16)21-19(12-18)22-15(3)23-21;1-2-3/h4-8,11-12H,9-10H2,1-3H3,(H,22,23);4-12H,1-3H3,(H,22,23);3H,2H2,1H3/b;10-9+;.
What are the key properties of 3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol?
3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol has a molecular weight of 706.89 g/mol, XLogP of 10.24, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-methyl-7-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-phenylethyl)-3H-benzimidazol-5-yl]-1,2-oxazole;ethanol is sourced from PubChem (CID 158902719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).