2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine

C14H17N5O — CID 106408031

IUPAC2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine
SMILESCC(C)(C)c1nc2cc(N)ccc2n1Cc1ncon1
InChIInChI=1S/C14H17N5O/c1-14(2,3)13-17-10-6-9(15)4-5-11(10)19(13)7-12-16-8-20-18-12/h4-6,8H,7,15H2,1-3H3
InChIKeyDKHUWSDXUVJNSW-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.35
Rot. Bonds2

About 2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine

2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine (PubChem CID 106408031) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine
PubChem CID106408031
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine
SMILESCC(C)(C)c1nc2cc(N)ccc2n1Cc1ncon1
InChIInChI=1S/C14H17N5O/c1-14(2,3)13-17-10-6-9(15)4-5-11(10)19(13)7-12-16-8-20-18-12/h4-6,8H,7,15H2,1-3H3
InChIKeyDKHUWSDXUVJNSW-UHFFFAOYSA-N
XLogP2.35
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-1-(thiophen-2-ylmethyl)benzimidazol-5-amine
CID 62508021
2-tert-butyl-1-(pyridin-2-ylmethyl)benzimidazol-5-amine
CID 62507178
2-(5-amino-2-tert-butylbenzimidazol-1-yl)ethanol
CID 62493612
2-tert-butyl-1-(3-methylsulfanylpropyl)benzimidazol-5-amine
CID 63957853
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
2-tert-butyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]benzimidazol-5-amine
CID 62508064
2-cyclopropyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-5-amine
CID 106408059
2-tert-butyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-5-amine
CID 106408046
2-tert-butyl-1-(5-methylhexyl)benzimidazol-5-amine
CID 115326894
2-tert-butyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830504
2-tert-butyl-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-5-amine
CID 62640970
2-tert-butyl-1-(3-ethoxypropyl)benzimidazol-5-amine
CID 62508319

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine (CID 106408031) is 2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine is CC(C)(C)c1nc2cc(N)ccc2n1Cc1ncon1.
What is the InChIKey of 2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine?
The InChIKey is DKHUWSDXUVJNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-14(2,3)13-17-10-6-9(15)4-5-11(10)19(13)7-12-16-8-20-18-12/h4-6,8H,7,15H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine?
2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine has a molecular weight of 271.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 106408031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).