2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline — IUPAC name, SMILES, InChIKey & properties

Name: 2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline

2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline (PubChem CID 158115292) has the molecular formula C96H78FN19O3S and a molecular weight of 1596.88 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline.

Molecular Properties

Compound Name	2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline
PubChem CID	158115292
Molecular Formula	C96H78FN19O3S
Molecular Weight	1596.88 g/mol
Exact Mass	1595.62
IUPAC Name	2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline
SMILES	Fc1ccccc1-c1ccc(Cn2ccnc2)cn1.Nc1ccccc1-c1ccc(Cn2ccnc2)cn1.c1ccc2c(-c3ccc(Cn4ccnc4)cn3)cccc2c1.c1ccc2c(-c3ccc(Cn4ccnc4)cn3)csc2c1.c1cn(Cc2ccc(-c3ccoc3)nc2)cn1.c1coc(-c2cc(Cn3ccnc3)cnc2-c2ccoc2)c1
InChI	InChI=1S/C19H15N3.C17H13N3O2.C17H13N3S.C15H12FN3.C15H14N4.C13H11N3O/c1-2-6-17-16(4-1)5-3-7-18(17)19-9-8-15(12-21-19)13-22-11-10-20-14-22;1-2-16(22-6-1)15-8-13(10-20-5-4-18-12-20)9-19-17(15)14-3-7-21-11-14;1-2-4-17-14(3-1)15(11-21-17)16-6-5-13(9-19-16)10-20-8-7-18-12-20;2*16-14-4-2-1-3-13(14)15-6-5-12(9-18-15)10-19-8-7-17-11-19;1-2-13(12-3-6-17-9-12)15-7-11(1)8-16-5-4-14-10-16/h1-12,14H,13H2;1-9,11-12H,10H2;1-9,11-12H,10H2;1-9,11H,10H2;1-9,11H,10,16H2;1-7,9-10H,8H2
InChIKey	FQXSPCUBYCJFEN-UHFFFAOYSA-N
XLogP	20.50
TPSA	249.70 Å²
H-Bond Donors	1
H-Bond Acceptors	23
Rotatable Bonds	19
Heavy Atoms	120
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.88
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline?

The IUPAC name of 2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline (CID 158115292) is 2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline.

What is the SMILES notation for 2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline?

The canonical SMILES for 2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline is Fc1ccccc1-c1ccc(Cn2ccnc2)cn1.Nc1ccccc1-c1ccc(Cn2ccnc2)cn1.c1ccc2c(-c3ccc(Cn4ccnc4)cn3)cccc2c1.c1ccc2c(-c3ccc(Cn4ccnc4)cn3)csc2c1.c1cn(Cc2ccc(-c3ccoc3)nc2)cn1.c1coc(-c2cc(Cn3ccnc3)cnc2-c2ccoc2)c1.

What is the InChIKey of 2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline?

The InChIKey is FQXSPCUBYCJFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3.C17H13N3O2.C17H13N3S.C15H12FN3.C15H14N4.C13H11N3O/c1-2-6-17-16(4-1)5-3-7-18(17)19-9-8-15(12-21-19)13-22-11-10-20-14-22;1-2-16(22-6-1)15-8-13(10-20-5-4-18-12-20)9-19-17(15)14-3-7-21-11-14;1-2-4-17-14(3-1)15(11-21-17)16-6-5-13(9-19-16)10-20-8-7-18-12-20;2*16-14-4-2-1-3-13(14)15-6-5-12(9-18-15)10-19-8-7-17-11-19;1-2-13(12-3-6-17-9-12)15-7-11(1)8-16-5-4-14-10-16/h1-12,14H,13H2;1-9,11-12H,10H2;1-9,11-12H,10H2;1-9,11H,10H2;1-9,11H,10,16H2;1-7,9-10H,8H2.

What are the key properties of 2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline?

Where does this data come from?

All data for 2-(1-benzothiophen-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine;3-(furan-2-yl)-2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;2-(furan-3-yl)-5-(imidazol-1-ylmethyl)pyridine;5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine;2-[5-(imidazol-1-ylmethyl)-2-pyridinyl]aniline is sourced from PubChem (CID 158115292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).