N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine

C16H23F2N3 — CID 62564290

IUPACN-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)n1cnc2cc(F)c(F)cc21
InChIInChI=1S/C16H23F2N3/c1-10(2)15(8-20-16(3,4)5)21-9-19-13-6-11(17)12(18)7-14(13)21/h6-7,9-10,15,20H,8H2,1-5H3
InChIKeyTURJBTZDYQSERQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.90
Rot. Bonds4

About N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine

N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine (PubChem CID 62564290) has the molecular formula C16H23F2N3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine
PubChem CID62564290
Molecular FormulaC16H23F2N3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)n1cnc2cc(F)c(F)cc21
InChIInChI=1S/C16H23F2N3/c1-10(2)15(8-20-16(3,4)5)21-9-19-13-6-11(17)12(18)7-14(13)21/h6-7,9-10,15,20H,8H2,1-5H3
InChIKeyTURJBTZDYQSERQ-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine (CID 62564290) is N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine is CC(C)C(CNC(C)(C)C)n1cnc2cc(F)c(F)cc21.
What is the InChIKey of N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine?
The InChIKey is TURJBTZDYQSERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3/c1-10(2)15(8-20-16(3,4)5)21-9-19-13-6-11(17)12(18)7-14(13)21/h6-7,9-10,15,20H,8H2,1-5H3.
What are the key properties of N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine?
N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine has a molecular weight of 295.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5,6-difluorobenzimidazol-1-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 62564290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).