1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one

C14H16N4O2 — CID 71877636

IUPAC1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one
SMILESCCCc1nc(Cn2c(=O)n(C)c3ccccc32)no1
InChIInChI=1S/C14H16N4O2/c1-3-6-13-15-12(16-20-13)9-18-11-8-5-4-7-10(11)17(2)14(18)19/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyNIDXCPFLWRKRSE-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.72
Rot. Bonds4

About 1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one

1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one (PubChem CID 71877636) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one
PubChem CID71877636
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one
SMILESCCCc1nc(Cn2c(=O)n(C)c3ccccc32)no1
InChIInChI=1S/C14H16N4O2/c1-3-6-13-15-12(16-20-13)9-18-11-8-5-4-7-10(11)17(2)14(18)19/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyNIDXCPFLWRKRSE-UHFFFAOYSA-N
XLogP1.72
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one (CID 71877636) is 1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one is CCCc1nc(Cn2c(=O)n(C)c3ccccc32)no1.
What is the InChIKey of 1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one?
The InChIKey is NIDXCPFLWRKRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-6-13-15-12(16-20-13)9-18-11-8-5-4-7-10(11)17(2)14(18)19/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of 1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one?
1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one has a molecular weight of 272.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-one is sourced from PubChem (CID 71877636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).