N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide

C18H23FN4O — CID 139487142

IUPACN-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(C#N)c(F)c2n1C(C)(C)C
InChIInChI=1S/C18H23FN4O/c1-17(2,3)9-13(24)22-16-21-12-8-7-11(10-20)14(19)15(12)23(16)18(4,5)6/h7-8H,9H2,1-6H3,(H,21,22,24)
InChIKeyAVRYGHHMITXAJD-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.18
Rot. Bonds2

About N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide

N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide (PubChem CID 139487142) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide
PubChem CID139487142
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC NameN-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(C#N)c(F)c2n1C(C)(C)C
InChIInChI=1S/C18H23FN4O/c1-17(2,3)9-13(24)22-16-21-12-8-7-11(10-20)14(19)15(12)23(16)18(4,5)6/h7-8H,9H2,1-6H3,(H,21,22,24)
InChIKeyAVRYGHHMITXAJD-UHFFFAOYSA-N
XLogP4.18
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide (CID 139487142) is N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(C#N)c(F)c2n1C(C)(C)C.
What is the InChIKey of N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide?
The InChIKey is AVRYGHHMITXAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-17(2,3)9-13(24)22-16-21-12-8-7-11(10-20)14(19)15(12)23(16)18(4,5)6/h7-8H,9H2,1-6H3,(H,21,22,24).
What are the key properties of N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide?
N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide has a molecular weight of 330.41 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-6-cyano-7-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 139487142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).