[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate

C23H16N4O3 — CID 37316813

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)Oc3ccc(-c4nnco4)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C23H16N4O3/c1-15-25-20-13-17(9-12-21(20)27(15)18-5-3-2-4-6-18)23(28)30-19-10-7-16(8-11-19)22-26-24-14-29-22/h2-14H,1H3
InChIKeyDNMQKMSZVODSLR-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.60
Rot. Bonds4

About [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate

[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate (PubChem CID 37316813) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
PubChem CID37316813
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
SMILESCc1nc2cc(C(=O)Oc3ccc(-c4nnco4)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C23H16N4O3/c1-15-25-20-13-17(9-12-21(20)27(15)18-5-3-2-4-6-18)23(28)30-19-10-7-16(8-11-19)22-26-24-14-29-22/h2-14H,1H3
InChIKeyDNMQKMSZVODSLR-UHFFFAOYSA-N
XLogP4.60
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(4-(6-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazol-2-yl)-3,5-dimethylphenyl)propanoic acid
CID 25235361
3-(4-{5-[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-1H-benzoimidazol-2-yl}-3,5-dimethyl-phenyl)-2,2-dimethyl-propionic acid
CID 25235407
2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 25235767
5-(5-(2,4-Dimethoxyphenethyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazole
CID 58433285
Methyl 2-[(4-ethoxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxylate
CID 118706309
sodium 3-[4-[6-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-benzimidazol-2-yl]-3,5-dimethylphenyl]-2,2-dimethylpropanoic acid
CID 137661810
2-[4-[4-[(E)-(acetylhydrazinylidene)methyl]-3-methyl-1-phenylpyrazol-5-yl]oxyphenyl]-3H-benzimidazole-5-carboxylic acid
CID 145955541
1-Cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 10160567
Methyl 1-[2-(4-methoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxylate
CID 45272754
1-((5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)methyl)-2-(morpholinomethyl)-1H-benzimidazole (5r)
CID 126842596
Methyl 1-benzyl-2-(4-benzyloxyphenyl)benzimidazole-5-carboxylate
CID 3008662
2-(4-Methoxyphenyl)-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
CID 18142030

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate (CID 37316813) is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate is Cc1nc2cc(C(=O)Oc3ccc(-c4nnco4)cc3)ccc2n1-c1ccccc1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
The InChIKey is DNMQKMSZVODSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c1-15-25-20-13-17(9-12-21(20)27(15)18-5-3-2-4-6-18)23(28)30-19-10-7-16(8-11-19)22-26-24-14-29-22/h2-14H,1H3.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate has a molecular weight of 396.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate is sourced from PubChem (CID 37316813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).