3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole

C16H18N4O2 — CID 139004051

IUPAC3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCOCCC1(c2nc(Cn3cnc4ccccc43)no2)CC1
InChIInChI=1S/C16H18N4O2/c1-21-9-8-16(6-7-16)15-18-14(19-22-15)10-20-11-17-12-4-2-3-5-13(12)20/h2-5,11H,6-10H2,1H3
InChIKeyVAQSUGIBAPRSFJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.54
Rot. Bonds6

About 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole

3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 139004051) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID139004051
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCOCCC1(c2nc(Cn3cnc4ccccc43)no2)CC1
InChIInChI=1S/C16H18N4O2/c1-21-9-8-16(6-7-16)15-18-14(19-22-15)10-20-11-17-12-4-2-3-5-13(12)20/h2-5,11H,6-10H2,1H3
InChIKeyVAQSUGIBAPRSFJ-UHFFFAOYSA-N
XLogP2.54
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole (CID 139004051) is 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole is COCCC1(c2nc(Cn3cnc4ccccc43)no2)CC1.
What is the InChIKey of 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is VAQSUGIBAPRSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-21-9-8-16(6-7-16)15-18-14(19-22-15)10-20-11-17-12-4-2-3-5-13(12)20/h2-5,11H,6-10H2,1H3.
What are the key properties of 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole?
3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 298.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-ylmethyl)-5-[1-(2-methoxyethyl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 139004051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).