N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine

C18H20FN3O — CID 75466914

IUPACN-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCCN(Cc1ccc(OC)cc1)Cc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C18H20FN3O/c1-3-22(11-13-7-9-14(23-2)10-8-13)12-17-20-16-6-4-5-15(19)18(16)21-17/h4-10H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyISXDFWGHEPSAAC-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.73
Rot. Bonds6

About N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine

N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine (PubChem CID 75466914) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
PubChem CID75466914
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine
SMILESCCN(Cc1ccc(OC)cc1)Cc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C18H20FN3O/c1-3-22(11-13-7-9-14(23-2)10-8-13)12-17-20-16-6-4-5-15(19)18(16)21-17/h4-10H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyISXDFWGHEPSAAC-UHFFFAOYSA-N
XLogP3.73
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine (CID 75466914) is N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine is CCN(Cc1ccc(OC)cc1)Cc1nc2c(F)cccc2[nH]1.
What is the InChIKey of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine?
The InChIKey is ISXDFWGHEPSAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-3-22(11-13-7-9-14(23-2)10-8-13)12-17-20-16-6-4-5-15(19)18(16)21-17/h4-10H,3,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine?
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine has a molecular weight of 313.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 75466914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).