N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine

C18H20FN3 — CID 82335842

IUPACN-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
SMILESCC(C)N(Cc1ccccc1)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H20FN3/c1-13(2)22(11-14-6-4-3-5-7-14)12-18-20-16-9-8-15(19)10-17(16)21-18/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyWEDGKJZLLNPHLG-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.11
Rot. Bonds5

About N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine

N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine (PubChem CID 82335842) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
PubChem CID82335842
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC NameN-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
SMILESCC(C)N(Cc1ccccc1)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H20FN3/c1-13(2)22(11-14-6-4-3-5-7-14)12-18-20-16-9-8-15(19)10-17(16)21-18/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyWEDGKJZLLNPHLG-UHFFFAOYSA-N
XLogP4.11
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylsulfamoyl]-N-methyl-1-phenylmethanamine
CID 131926246
1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 25284756
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3H-benzimidazol-5-amine
CID 43575003
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957
2-[[2-methylpropyl(propan-2-yl)amino]methyl]-3H-benzimidazol-5-amine
CID 55001133
2-[6-[4-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]phenyl]-2-pyridinyl]ethanol
CID 171907372
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
1-(2-butyl-1H-imidazol-5-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
CID 131930499
2-[[benzyl(propan-2-yl)amino]methyl]-4-fluorobenzonitrile
CID 103760606

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine (CID 82335842) is N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine is CC(C)N(Cc1ccccc1)Cc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is WEDGKJZLLNPHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-13(2)22(11-14-6-4-3-5-7-14)12-18-20-16-9-8-15(19)10-17(16)21-18/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine?
N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 297.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 82335842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).