3-tert-butylbenzimidazol-5-amine

C11H15N3 — CID 134239532

IUPAC3-tert-butylbenzimidazol-5-amine
SMILESCC(C)(C)n1cnc2ccc(N)cc21
InChIInChI=1S/C11H15N3/c1-11(2,3)14-7-13-9-5-4-8(12)6-10(9)14/h4-7H,12H2,1-3H3
InChIKeyHWZPVBCDUXMKHL-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.37
Rot. Bonds

About 3-tert-butylbenzimidazol-5-amine

3-tert-butylbenzimidazol-5-amine (PubChem CID 134239532) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-tert-butylbenzimidazol-5-amine.

Molecular Properties

Compound Name3-tert-butylbenzimidazol-5-amine
PubChem CID134239532
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-tert-butylbenzimidazol-5-amine
SMILESCC(C)(C)n1cnc2ccc(N)cc21
InChIInChI=1S/C11H15N3/c1-11(2,3)14-7-13-9-5-4-8(12)6-10(9)14/h4-7H,12H2,1-3H3
InChIKeyHWZPVBCDUXMKHL-UHFFFAOYSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylbenzimidazol-5-amine?
The IUPAC name of 3-tert-butylbenzimidazol-5-amine (CID 134239532) is 3-tert-butylbenzimidazol-5-amine.
What is the SMILES notation for 3-tert-butylbenzimidazol-5-amine?
The canonical SMILES for 3-tert-butylbenzimidazol-5-amine is CC(C)(C)n1cnc2ccc(N)cc21.
What is the InChIKey of 3-tert-butylbenzimidazol-5-amine?
The InChIKey is HWZPVBCDUXMKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-11(2,3)14-7-13-9-5-4-8(12)6-10(9)14/h4-7H,12H2,1-3H3.
What are the key properties of 3-tert-butylbenzimidazol-5-amine?
3-tert-butylbenzimidazol-5-amine has a molecular weight of 189.26 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylbenzimidazol-5-amine is sourced from PubChem (CID 134239532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).