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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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).