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

C15H16N4O2 — CID 71877643

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(Cc2noc(C3CC3)n2)c2ccccc21
InChIInChI=1S/C15H16N4O2/c1-2-18-11-5-3-4-6-12(11)19(15(18)20)9-13-16-14(21-17-13)10-7-8-10/h3-6,10H,2,7-9H2,1H3
InChIKeyWQRGSTYWLPOTDX-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.13
Rot. Bonds4

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

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylbenzimidazol-2-one (PubChem CID 71877643) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylbenzimidazol-2-one
PubChem CID71877643
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(Cc2noc(C3CC3)n2)c2ccccc21
InChIInChI=1S/C15H16N4O2/c1-2-18-11-5-3-4-6-12(11)19(15(18)20)9-13-16-14(21-17-13)10-7-8-10/h3-6,10H,2,7-9H2,1H3
InChIKeyWQRGSTYWLPOTDX-UHFFFAOYSA-N
XLogP2.13
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.13
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-ethylbenzimidazol-2-one?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylbenzimidazol-2-one (CID 71877643) is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylbenzimidazol-2-one.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylbenzimidazol-2-one?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylbenzimidazol-2-one is CCn1c(=O)n(Cc2noc(C3CC3)n2)c2ccccc21.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylbenzimidazol-2-one?
The InChIKey is WQRGSTYWLPOTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-18-11-5-3-4-6-12(11)19(15(18)20)9-13-16-14(21-17-13)10-7-8-10/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylbenzimidazol-2-one?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylbenzimidazol-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.13, 4 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-ethylbenzimidazol-2-one is sourced from PubChem (CID 71877643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).