N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C19H26FN3O2 — CID 139487122

IUPACN-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCOc1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1
InChIInChI=1S/C19H26FN3O2/c1-18(2,3)11-15(24)21-17-22-16-13(20)9-12(25-5)10-14(16)23(17)19(4)7-6-8-19/h9-10H,6-8,11H2,1-5H3,(H,21,22,24)
InChIKeyPHSHZTMJBGOUHY-UHFFFAOYSA-N
MW347.43 g/mol
LogP4.46
Rot. Bonds4

About N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 139487122) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID139487122
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCOc1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1
InChIInChI=1S/C19H26FN3O2/c1-18(2,3)11-15(24)21-17-22-16-13(20)9-12(25-5)10-14(16)23(17)19(4)7-6-8-19/h9-10H,6-8,11H2,1-5H3,(H,21,22,24)
InChIKeyPHSHZTMJBGOUHY-UHFFFAOYSA-N
XLogP4.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 139487122) is N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is COc1cc(F)c2nc(NC(=O)CC(C)(C)C)n(C3(C)CCC3)c2c1.
What is the InChIKey of N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is PHSHZTMJBGOUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-18(2,3)11-15(24)21-17-22-16-13(20)9-12(25-5)10-14(16)23(17)19(4)7-6-8-19/h9-10H,6-8,11H2,1-5H3,(H,21,22,24).
What are the key properties of N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 347.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-6-methoxy-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 139487122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).