N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide

C20H20N4O — CID 25339903

IUPACN-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CCC#N)cc1
InChIInChI=1S/C20H20N4O/c1-14-8-10-16(11-9-14)20(25)22-15(2)19-23-17-6-3-4-7-18(17)24(19)13-5-12-21/h3-4,6-11,15H,5,13H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeySSFPSXCJQRINRS-OAHLLOKOSA-N
MW332.41 g/mol
LogP3.75
Rot. Bonds5

About N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide

N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide (PubChem CID 25339903) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
PubChem CID25339903
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CCC#N)cc1
InChIInChI=1S/C20H20N4O/c1-14-8-10-16(11-9-14)20(25)22-15(2)19-23-17-6-3-4-7-18(17)24(19)13-5-12-21/h3-4,6-11,15H,5,13H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeySSFPSXCJQRINRS-OAHLLOKOSA-N
XLogP3.75
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide
CID 39948802
4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967208
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967207
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967222
N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967274
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407
4-methyl-N-[1-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967216
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967268
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 17009463
4-fluoro-N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 751168
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The IUPAC name of N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide (CID 25339903) is N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CCC#N)cc1.
What is the InChIKey of N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide?
The InChIKey is SSFPSXCJQRINRS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-8-10-16(11-9-14)20(25)22-15(2)19-23-17-6-3-4-7-18(17)24(19)13-5-12-21/h3-4,6-11,15H,5,13H2,1-2H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide?
N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide has a molecular weight of 332.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 25339903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).