N-(1-tert-butylbenzimidazol-5-yl)acetamide

C13H17N3O — CID 749161

IUPACN-(1-tert-butylbenzimidazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)ncn2C(C)(C)C
InChIInChI=1S/C13H17N3O/c1-9(17)15-10-5-6-12-11(7-10)14-8-16(12)13(2,3)4/h5-8H,1-4H3,(H,15,17)
InChIKeyAJXKVFQOZOQNRD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.75
Rot. Bonds1

About N-(1-tert-butylbenzimidazol-5-yl)acetamide

N-(1-tert-butylbenzimidazol-5-yl)acetamide (PubChem CID 749161) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1-tert-butylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1-tert-butylbenzimidazol-5-yl)acetamide
PubChem CID749161
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(1-tert-butylbenzimidazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)ncn2C(C)(C)C
InChIInChI=1S/C13H17N3O/c1-9(17)15-10-5-6-12-11(7-10)14-8-16(12)13(2,3)4/h5-8H,1-4H3,(H,15,17)
InChIKeyAJXKVFQOZOQNRD-UHFFFAOYSA-N
XLogP2.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylbenzimidazol-5-yl)acetamide?
The IUPAC name of N-(1-tert-butylbenzimidazol-5-yl)acetamide (CID 749161) is N-(1-tert-butylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(1-tert-butylbenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(1-tert-butylbenzimidazol-5-yl)acetamide is CC(=O)Nc1ccc2c(c1)ncn2C(C)(C)C.
What is the InChIKey of N-(1-tert-butylbenzimidazol-5-yl)acetamide?
The InChIKey is AJXKVFQOZOQNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(17)15-10-5-6-12-11(7-10)14-8-16(12)13(2,3)4/h5-8H,1-4H3,(H,15,17).
What are the key properties of N-(1-tert-butylbenzimidazol-5-yl)acetamide?
N-(1-tert-butylbenzimidazol-5-yl)acetamide has a molecular weight of 231.30 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 749161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).