5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole

C16H20N4O — CID 115590553

IUPAC5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCc1nc2ccccc2n1Cc1noc(C(C)C)n1
InChIInChI=1S/C16H20N4O/c1-4-7-15-17-12-8-5-6-9-13(12)20(15)10-14-18-16(11(2)3)21-19-14/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyKOYVSZLTPCLVFP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.54
Rot. Bonds5

About 5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole

5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 115590553) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID115590553
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCCc1nc2ccccc2n1Cc1noc(C(C)C)n1
InChIInChI=1S/C16H20N4O/c1-4-7-15-17-12-8-5-6-9-13(12)20(15)10-14-18-16(11(2)3)21-19-14/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyKOYVSZLTPCLVFP-UHFFFAOYSA-N
XLogP3.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-propyl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115591565
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
1-[(1-ethylimidazol-2-yl)methyl]-2-propylbenzimidazole
CID 116626980
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
CID 116627019
3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2R)-2-methylcyclopropyl]-1,2,4-oxadiazole
CID 100695418
3-[(2-ethylbenzimidazol-1-yl)methyl]-5-[(1R,2S)-2-methylcyclopropyl]-1,2,4-oxadiazole
CID 100695399
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
3-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]butane-1-thiol
CID 112632540
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole
CID 116627005

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 115590553) is 5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole is CCCc1nc2ccccc2n1Cc1noc(C(C)C)n1.
What is the InChIKey of 5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is KOYVSZLTPCLVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-7-15-17-12-8-5-6-9-13(12)20(15)10-14-18-16(11(2)3)21-19-14/h5-6,8-9,11H,4,7,10H2,1-3H3.
What are the key properties of 5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole?
5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 284.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 115590553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).