N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine

C13H18FN3 — CID 63772670

IUPACN-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
SMILESCn1c(CNC(C)(C)C)nc2cc(F)ccc21
InChIInChI=1S/C13H18FN3/c1-13(2,3)15-8-12-16-10-7-9(14)5-6-11(10)17(12)4/h5-7,15H,8H2,1-4H3
InChIKeyVXDZIYAFWBIWKX-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.60
Rot. Bonds2

About N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine

N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 63772670) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID63772670
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC NameN-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
SMILESCn1c(CNC(C)(C)C)nc2cc(F)ccc21
InChIInChI=1S/C13H18FN3/c1-13(2,3)15-8-12-16-10-7-9(14)5-6-11(10)17(12)4/h5-7,15H,8H2,1-4H3
InChIKeyVXDZIYAFWBIWKX-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine (CID 63772670) is N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine is Cn1c(CNC(C)(C)C)nc2cc(F)ccc21.
What is the InChIKey of N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is VXDZIYAFWBIWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-13(2,3)15-8-12-16-10-7-9(14)5-6-11(10)17(12)4/h5-7,15H,8H2,1-4H3.
What are the key properties of N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63772670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).