4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C18H24N6O2 — CID 91800658

IUPAC4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCC(C)n1c(-c2nonc2N)nc2cccc(OCCN3CCCC3)c21
InChIInChI=1S/C18H24N6O2/c1-12(2)24-16-13(20-18(24)15-17(19)22-26-21-15)6-5-7-14(16)25-11-10-23-8-3-4-9-23/h5-7,12H,3-4,8-11H2,1-2H3,(H2,19,22)
InChIKeyZZUMCOOASRWOQO-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.72
Rot. Bonds6

About 4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 91800658) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID91800658
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCC(C)n1c(-c2nonc2N)nc2cccc(OCCN3CCCC3)c21
InChIInChI=1S/C18H24N6O2/c1-12(2)24-16-13(20-18(24)15-17(19)22-26-21-15)6-5-7-14(16)25-11-10-23-8-3-4-9-23/h5-7,12H,3-4,8-11H2,1-2H3,(H2,19,22)
InChIKeyZZUMCOOASRWOQO-UHFFFAOYSA-N
XLogP2.72
TPSA95.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 91800658) is 4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is CC(C)n1c(-c2nonc2N)nc2cccc(OCCN3CCCC3)c21.
What is the InChIKey of 4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is ZZUMCOOASRWOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12(2)24-16-13(20-18(24)15-17(19)22-26-21-15)6-5-7-14(16)25-11-10-23-8-3-4-9-23/h5-7,12H,3-4,8-11H2,1-2H3,(H2,19,22).
What are the key properties of 4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 356.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 91800658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).