2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide

C20H20N4O — CID 23008463

IUPAC2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
SMILESCC(C)(C)c1nc2ccccc2n1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H20N4O/c1-20(2,3)19-23-16-10-6-7-11-17(16)24(19)13-18(25)22-15-9-5-4-8-14(15)12-21/h4-11H,13H2,1-3H3,(H,22,25)
InChIKeyJYPGUWGHHYZRQY-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.84
Rot. Bonds3

About 2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide

2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide (PubChem CID 23008463) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
PubChem CID23008463
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
SMILESCC(C)(C)c1nc2ccccc2n1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H20N4O/c1-20(2,3)19-23-16-10-6-7-11-17(16)24(19)13-18(25)22-15-9-5-4-8-14(15)12-21/h4-11H,13H2,1-3H3,(H,22,25)
InChIKeyJYPGUWGHHYZRQY-UHFFFAOYSA-N
XLogP3.84
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide (CID 23008463) is 2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide is CC(C)(C)c1nc2ccccc2n1CC(=O)Nc1ccccc1C#N.
What is the InChIKey of 2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide?
The InChIKey is JYPGUWGHHYZRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-20(2,3)19-23-16-10-6-7-11-17(16)24(19)13-18(25)22-15-9-5-4-8-14(15)12-21/h4-11H,13H2,1-3H3,(H,22,25).
What are the key properties of 2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide?
2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide has a molecular weight of 332.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 23008463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).