2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole

C21H21N5O — CID 155810137

IUPAC2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc3c(c2)nc(-c2ccncc2)n3C2CCCCC2)o1
InChIInChI=1S/C21H21N5O/c1-14-24-25-21(27-14)16-7-8-19-18(13-16)23-20(15-9-11-22-12-10-15)26(19)17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3
InChIKeyIDZKAFQJPNJDBF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.96
Rot. Bonds3

About 2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole

2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 155810137) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID155810137
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc3c(c2)nc(-c2ccncc2)n3C2CCCCC2)o1
InChIInChI=1S/C21H21N5O/c1-14-24-25-21(27-14)16-7-8-19-18(13-16)23-20(15-9-11-22-12-10-15)26(19)17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3
InChIKeyIDZKAFQJPNJDBF-UHFFFAOYSA-N
XLogP4.96
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole (CID 155810137) is 2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccc3c(c2)nc(-c2ccncc2)n3C2CCCCC2)o1.
What is the InChIKey of 2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is IDZKAFQJPNJDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-24-25-21(27-14)16-7-8-19-18(13-16)23-20(15-9-11-22-12-10-15)26(19)17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3.
What are the key properties of 2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole?
2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 359.43 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-2-pyridin-4-ylbenzimidazol-5-yl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 155810137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).