N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide

C20H26N4O — CID 146264731

IUPACN-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide
SMILESCCC(C(=O)Nc1nc2ccc(C#N)cc2n1C1CCC1)C(C)(C)C
InChIInChI=1S/C20H26N4O/c1-5-15(20(2,3)4)18(25)23-19-22-16-10-9-13(12-21)11-17(16)24(19)14-7-6-8-14/h9-11,14-15H,5-8H2,1-4H3,(H,22,23,25)
InChIKeyCZAWXDDQWHTWKW-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.64
Rot. Bonds4

About N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide

N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide (PubChem CID 146264731) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide
PubChem CID146264731
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide
SMILESCCC(C(=O)Nc1nc2ccc(C#N)cc2n1C1CCC1)C(C)(C)C
InChIInChI=1S/C20H26N4O/c1-5-15(20(2,3)4)18(25)23-19-22-16-10-9-13(12-21)11-17(16)24(19)14-7-6-8-14/h9-11,14-15H,5-8H2,1-4H3,(H,22,23,25)
InChIKeyCZAWXDDQWHTWKW-UHFFFAOYSA-N
XLogP4.64
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118938285
(2S)-N-(1-cyclobutyl-6-ethynylbenzimidazol-2-yl)-2,3,3-trimethylbutanamide
CID 139303961
2-amino-3-cyclobutylbenzimidazole-5-carbonitrile;(2R)-N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 159736376
3-cyclobutyl-2-[[(3S)-1,3-dihydroxy-3-phenylbutyl]amino]benzimidazole-5-carbonitrile
CID 170059771
(2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide
CID 146420832
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118941483
(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 134560811
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
CID 118938286
(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 118938264
2-(2-chloroethyl)-3-cyclopentylbenzimidazole-5-carbonitrile
CID 104715274
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide
CID 118941503
N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-ethoxyethoxy)propanamide
CID 47066357

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide?
The IUPAC name of N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide (CID 146264731) is N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide?
The canonical SMILES for N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide is CCC(C(=O)Nc1nc2ccc(C#N)cc2n1C1CCC1)C(C)(C)C.
What is the InChIKey of N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide?
The InChIKey is CZAWXDDQWHTWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-5-15(20(2,3)4)18(25)23-19-22-16-10-9-13(12-21)11-17(16)24(19)14-7-6-8-14/h9-11,14-15H,5-8H2,1-4H3,(H,22,23,25).
What are the key properties of N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide?
N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide has a molecular weight of 338.46 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide is sourced from PubChem (CID 146264731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).