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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Related Compounds

N-(2-cyanophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40689130
N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide
CID 39148117
2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
CID 39148056
2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide
CID 23008399
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723417
N-(2-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
CID 39158171
4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide
CID 31965173
[2-(2-cyanoanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23791724
N-(2-fluoro-5-methylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723406
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39045058
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059

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).