1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol

C18H25N5O2 — CID 111523534

IUPAC1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol
SMILESCC(C)CCc1noc(Cn2c(NCC(C)O)nc3ccccc32)n1
InChIInChI=1S/C18H25N5O2/c1-12(2)8-9-16-21-17(25-22-16)11-23-15-7-5-4-6-14(15)20-18(23)19-10-13(3)24/h4-7,12-13,24H,8-11H2,1-3H3,(H,19,20)
InChIKeySSXSDVDNCPJQDK-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.85
Rot. Bonds8

About 1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol

1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol (PubChem CID 111523534) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol
PubChem CID111523534
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol
SMILESCC(C)CCc1noc(Cn2c(NCC(C)O)nc3ccccc32)n1
InChIInChI=1S/C18H25N5O2/c1-12(2)8-9-16-21-17(25-22-16)11-23-15-7-5-4-6-14(15)20-18(23)19-10-13(3)24/h4-7,12-13,24H,8-11H2,1-3H3,(H,19,20)
InChIKeySSXSDVDNCPJQDK-UHFFFAOYSA-N
XLogP2.85
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol (CID 111523534) is 1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol is CC(C)CCc1noc(Cn2c(NCC(C)O)nc3ccccc32)n1.
What is the InChIKey of 1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol?
The InChIKey is SSXSDVDNCPJQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)8-9-16-21-17(25-22-16)11-23-15-7-5-4-6-14(15)20-18(23)19-10-13(3)24/h4-7,12-13,24H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol?
1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol has a molecular weight of 343.43 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol is sourced from PubChem (CID 111523534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).