3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole

C20H18N4O — CID 27369603

IUPAC3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
SMILESCc1nc2ccccc2n1CCc1noc(/C=C/c2ccccc2)n1
InChIInChI=1S/C20H18N4O/c1-15-21-17-9-5-6-10-18(17)24(15)14-13-19-22-20(25-23-19)12-11-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3/b12-11+
InChIKeyPOERLQISSLUZHS-VAWYXSNFSA-N
MW330.39 g/mol
LogP4.14
Rot. Bonds5

About 3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole

3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole (PubChem CID 27369603) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
PubChem CID27369603
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
SMILESCc1nc2ccccc2n1CCc1noc(/C=C/c2ccccc2)n1
InChIInChI=1S/C20H18N4O/c1-15-21-17-9-5-6-10-18(17)24(15)14-13-19-22-20(25-23-19)12-11-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3/b12-11+
InChIKeyPOERLQISSLUZHS-VAWYXSNFSA-N
XLogP4.14
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole 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

3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
CID 27369609
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
4-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
CID 86781728
1-octadecyl-2-(2-phenylethenyl)benzimidazole
CID 4153645
3-(2-methylbenzimidazol-1-yl)-1-phenylpropan-1-ol
CID 3689671
2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole
CID 107054369

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole (CID 27369603) is 3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is Cc1nc2ccccc2n1CCc1noc(/C=C/c2ccccc2)n1.
What is the InChIKey of 3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
The InChIKey is POERLQISSLUZHS-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H18N4O/c1-15-21-17-9-5-6-10-18(17)24(15)14-13-19-22-20(25-23-19)12-11-16-7-3-2-4-8-16/h2-12H,13-14H2,1H3/b12-11+.
What are the key properties of 3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole?
3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole has a molecular weight of 330.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylbenzimidazol-1-yl)ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 27369603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).