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

C18H22N4O — CID 118938285

IUPACN-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(C#N)cc2n1C1CCC1
InChIInChI=1S/C18H22N4O/c1-18(2,3)10-16(23)21-17-20-14-8-7-12(11-19)9-15(14)22(17)13-5-4-6-13/h7-9,13H,4-6,10H2,1-3H3,(H,20,21,23)
InChIKeyDUIOJOJPBIMFPY-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.01
Rot. Bonds3

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

N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide (PubChem CID 118938285) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide
PubChem CID118938285
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(C#N)cc2n1C1CCC1
InChIInChI=1S/C18H22N4O/c1-18(2,3)10-16(23)21-17-20-14-8-7-12(11-19)9-15(14)22(17)13-5-4-6-13/h7-9,13H,4-6,10H2,1-3H3,(H,20,21,23)
InChIKeyDUIOJOJPBIMFPY-UHFFFAOYSA-N
XLogP4.01
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118941483
N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide
CID 146264731
N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 139487147
N-(6-cyano-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide
CID 130359793
N-[6-cyano-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 118938210
3-cyclobutyl-2-[[(3S)-1,3-dihydroxy-3-phenylbutyl]amino]benzimidazole-5-carbonitrile
CID 170059771
3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide
CID 140706446
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide
CID 118941503
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-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 118692468
N-(5-amino-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane;hydrochloride
CID 160628655
(2S)-N-(1-cyclobutyl-6-ethynylbenzimidazol-2-yl)-2,3,3-trimethylbutanamide
CID 139303961

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide (CID 118938285) is N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(C#N)cc2n1C1CCC1.
What is the InChIKey of N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide?
The InChIKey is DUIOJOJPBIMFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18(2,3)10-16(23)21-17-20-14-8-7-12(11-19)9-15(14)22(17)13-5-4-6-13/h7-9,13H,4-6,10H2,1-3H3,(H,20,21,23).
What are the key properties of N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide?
N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide has a molecular weight of 310.40 g/mol, XLogP of 4.01, 3 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)-3,3-dimethylbutanamide is sourced from PubChem (CID 118938285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).