1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one

C14H14N4O2 — CID 71877638

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2noc(C3CC3)n2)c2ccccc21
InChIInChI=1S/C14H14N4O2/c1-17-10-4-2-3-5-11(10)18(14(17)19)8-12-15-13(20-16-12)9-6-7-9/h2-5,9H,6-8H2,1H3
InChIKeyTVOCLONFCVZDNS-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.65
Rot. Bonds3

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

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one (PubChem CID 71877638) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one
PubChem CID71877638
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2noc(C3CC3)n2)c2ccccc21
InChIInChI=1S/C14H14N4O2/c1-17-10-4-2-3-5-11(10)18(14(17)19)8-12-15-13(20-16-12)9-6-7-9/h2-5,9H,6-8H2,1H3
InChIKeyTVOCLONFCVZDNS-UHFFFAOYSA-N
XLogP1.65
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one (CID 71877638) is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(Cc2noc(C3CC3)n2)c2ccccc21.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one?
The InChIKey is TVOCLONFCVZDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-17-10-4-2-3-5-11(10)18(14(17)19)8-12-15-13(20-16-12)9-6-7-9/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one has a molecular weight of 270.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 71877638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).