3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole

C13H12N4O — CID 166213858

IUPAC3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
SMILESCC1(c2nc(-c3ccc4nc[nH]c4c3)no2)CC1
InChIInChI=1S/C13H12N4O/c1-13(4-5-13)12-16-11(17-18-12)8-2-3-9-10(6-8)15-7-14-9/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyIZLBBLFCMRUUSK-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.66
Rot. Bonds2

About 3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole

3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 166213858) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
PubChem CID166213858
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole
SMILESCC1(c2nc(-c3ccc4nc[nH]c4c3)no2)CC1
InChIInChI=1S/C13H12N4O/c1-13(4-5-13)12-16-11(17-18-12)8-2-3-9-10(6-8)15-7-14-9/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyIZLBBLFCMRUUSK-UHFFFAOYSA-N
XLogP2.66
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3H-benzimidazol-5-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole
CID 122180505
4-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889000
3-(3H-benzimidazol-5-yl)-5-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-1,2,4-oxadiazole
CID 97454577
3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123728
5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
CID 94069320
3-(3H-benzimidazol-5-yl)-5-(1-methylazepan-2-yl)-1,2,4-oxadiazole
CID 72847122
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-propan-2-ylpyrrolidin-2-one
CID 72911459
5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 175923429
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylpyrrolidin-2-one
CID 72879147
3-(3H-benzimidazol-5-yl)-5-[4-pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 59214167
5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 63123750
3-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]phenol
CID 104986062

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole (CID 166213858) is 3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole is CC1(c2nc(-c3ccc4nc[nH]c4c3)no2)CC1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is IZLBBLFCMRUUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-13(4-5-13)12-16-11(17-18-12)8-2-3-9-10(6-8)15-7-14-9/h2-3,6-7H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole?
3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 240.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-5-(1-methylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166213858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).