2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane

C18H19FN4 — CID 145044312

IUPAC2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane
SMILESC.NCCc1nc2ccc(-c3c[nH]c4cc(F)ccc34)cc2[nH]1
InChIInChI=1S/C17H15FN4.CH4/c18-11-2-3-12-13(9-20-15(12)8-11)10-1-4-14-16(7-10)22-17(21-14)5-6-19;/h1-4,7-9,20H,5-6,19H2,(H,21,22);1H4
InChIKeyJVFGKSRCEUOUEP-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.99
Rot. Bonds3

About 2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane

2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane (PubChem CID 145044312) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane.

Molecular Properties

Compound Name2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane
PubChem CID145044312
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane
SMILESC.NCCc1nc2ccc(-c3c[nH]c4cc(F)ccc34)cc2[nH]1
InChIInChI=1S/C17H15FN4.CH4/c18-11-2-3-12-13(9-20-15(12)8-11)10-1-4-14-16(7-10)22-17(21-14)5-6-19;/h1-4,7-9,20H,5-6,19H2,(H,21,22);1H4
InChIKeyJVFGKSRCEUOUEP-UHFFFAOYSA-N
XLogP3.99
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane?
The IUPAC name of 2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane (CID 145044312) is 2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane.
What is the SMILES notation for 2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane?
The canonical SMILES for 2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane is C.NCCc1nc2ccc(-c3c[nH]c4cc(F)ccc34)cc2[nH]1.
What is the InChIKey of 2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane?
The InChIKey is JVFGKSRCEUOUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4.CH4/c18-11-2-3-12-13(9-20-15(12)8-11)10-1-4-14-16(7-10)22-17(21-14)5-6-19;/h1-4,7-9,20H,5-6,19H2,(H,21,22);1H4.
What are the key properties of 2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane?
2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane has a molecular weight of 310.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane is sourced from PubChem (CID 145044312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).