4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

C13H15N5O — CID 3146210

IUPAC4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCCCCn1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C13H15N5O/c1-2-3-8-18-10-7-5-4-6-9(10)15-13(18)11-12(14)17-19-16-11/h4-7H,2-3,8H2,1H3,(H2,14,17)
InChIKeyMKLQJJRUTFXMNQ-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.47
Rot. Bonds4

About 4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 3146210) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID3146210
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCCCCn1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C13H15N5O/c1-2-3-8-18-10-7-5-4-6-9(10)15-13(18)11-12(14)17-19-16-11/h4-7H,2-3,8H2,1H3,(H2,14,17)
InChIKeyMKLQJJRUTFXMNQ-UHFFFAOYSA-N
XLogP2.47
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 3146210) is 4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is CCCCn1c(-c2nonc2N)nc2ccccc21.
What is the InChIKey of 4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is MKLQJJRUTFXMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-3-8-18-10-7-5-4-6-9(10)15-13(18)11-12(14)17-19-16-11/h4-7H,2-3,8H2,1H3,(H2,14,17).
What are the key properties of 4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 257.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 3146210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).