N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide

C15H21N3O — CID 17028491

IUPACN-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc2ncn(CC(=O)NC(C)(C)C)c2cc1C
InChIInChI=1S/C15H21N3O/c1-10-6-12-13(7-11(10)2)18(9-16-12)8-14(19)17-15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,19)
InChIKeyHXUGHKARBHXMBB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.57
Rot. Bonds2

About N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide

N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide (PubChem CID 17028491) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
PubChem CID17028491
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
SMILESCc1cc2ncn(CC(=O)NC(C)(C)C)c2cc1C
InChIInChI=1S/C15H21N3O/c1-10-6-12-13(7-11(10)2)18(9-16-12)8-14(19)17-15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,19)
InChIKeyHXUGHKARBHXMBB-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide (CID 17028491) is N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide is Cc1cc2ncn(CC(=O)NC(C)(C)C)c2cc1C.
What is the InChIKey of N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
The InChIKey is HXUGHKARBHXMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-6-12-13(7-11(10)2)18(9-16-12)8-14(19)17-15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,19).
What are the key properties of N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide?
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17028491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).